Calcium in PDB 4ryd: X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Enzymatic activity of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
All present enzymatic activity of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba:
3.4.21.75;
Protein crystallography data
The structure of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba, PDB code: 4ryd
was solved by
S.O.Dahms,
M.E.Than,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.15
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
141.652,
152.701,
168.398,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.6 /
21.9
|
Other elements in 4ryd:
The structure of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba also contains other interesting chemical elements:
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
18;
Binding sites:
The binding sites of Calcium atom in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
(pdb code 4ryd). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 18 binding sites of Calcium where determined in the
X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba, PDB code: 4ryd:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 1 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca604
b:20.0
occ:1.00
|
O
|
A:VAL205
|
2.2
|
18.5
|
1.0
|
OD1
|
A:ASP162
|
2.3
|
19.4
|
1.0
|
OD2
|
A:ASP115
|
2.4
|
24.5
|
1.0
|
O
|
A:VAL210
|
2.4
|
19.0
|
1.0
|
O
|
A:GLY212
|
2.4
|
16.8
|
1.0
|
OD1
|
A:ASN208
|
2.5
|
21.0
|
1.0
|
OD2
|
A:ASP162
|
2.6
|
21.0
|
1.0
|
CG
|
A:ASP162
|
2.8
|
18.9
|
1.0
|
CG
|
A:ASP115
|
3.4
|
24.5
|
1.0
|
C
|
A:VAL205
|
3.4
|
18.7
|
1.0
|
CG
|
A:ASN208
|
3.5
|
18.3
|
1.0
|
C
|
A:VAL210
|
3.5
|
20.4
|
1.0
|
C
|
A:GLY212
|
3.7
|
19.7
|
1.0
|
ND2
|
A:ASN208
|
3.9
|
17.8
|
1.0
|
CB
|
A:ASP115
|
4.1
|
22.1
|
1.0
|
N
|
A:VAL210
|
4.2
|
19.2
|
1.0
|
CA
|
A:VAL210
|
4.2
|
18.1
|
1.0
|
CB
|
A:VAL210
|
4.2
|
18.7
|
1.0
|
N
|
A:GLY212
|
4.3
|
19.2
|
1.0
|
OD1
|
A:ASP115
|
4.3
|
20.3
|
1.0
|
N
|
A:ALA206
|
4.3
|
17.0
|
1.0
|
CB
|
A:ASP162
|
4.3
|
21.1
|
1.0
|
CA
|
A:VAL205
|
4.4
|
17.6
|
1.0
|
CA
|
A:ALA206
|
4.4
|
19.2
|
1.0
|
C
|
A:CYS211
|
4.4
|
21.1
|
1.0
|
N
|
A:VAL205
|
4.4
|
16.8
|
1.0
|
CA
|
A:GLY212
|
4.5
|
18.4
|
1.0
|
CG1
|
A:VAL213
|
4.6
|
21.0
|
1.0
|
N
|
A:CYS211
|
4.6
|
22.3
|
1.0
|
CB
|
A:VAL205
|
4.6
|
20.3
|
1.0
|
N
|
A:VAL213
|
4.6
|
16.2
|
1.0
|
O
|
A:CYS211
|
4.7
|
19.1
|
1.0
|
N
|
A:ASN208
|
4.7
|
18.3
|
1.0
|
C
|
A:ALA206
|
4.7
|
20.7
|
1.0
|
O
|
A:HOH724
|
4.8
|
22.2
|
1.0
|
CA
|
A:VAL213
|
4.8
|
17.8
|
1.0
|
CB
|
A:ASN208
|
4.8
|
18.4
|
1.0
|
CG1
|
A:VAL210
|
4.8
|
13.8
|
1.0
|
N
|
A:ASN207
|
4.9
|
18.2
|
1.0
|
C
|
A:ALA204
|
4.9
|
15.9
|
1.0
|
CA
|
A:CYS211
|
4.9
|
21.2
|
1.0
|
CB
|
A:CYS211
|
5.0
|
24.1
|
1.0
|
|
Calcium binding site 2 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 2 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca605
b:15.7
occ:1.00
|
OD2
|
A:ASP301
|
2.2
|
27.4
|
1.0
|
O
|
A:HOH852
|
2.2
|
14.5
|
1.0
|
OD1
|
A:ASP258
|
2.3
|
14.4
|
1.0
|
O
|
A:HOH756
|
2.4
|
17.3
|
1.0
|
OE1
|
A:GLU331
|
2.5
|
19.2
|
1.0
|
OE2
|
A:GLU331
|
2.5
|
18.9
|
1.0
|
O
|
A:HOH771
|
2.5
|
17.1
|
1.0
|
CD
|
A:GLU331
|
2.8
|
19.2
|
1.0
|
CG
|
A:ASP301
|
3.2
|
23.7
|
1.0
|
CG
|
A:ASP258
|
3.4
|
19.0
|
1.0
|
OD1
|
A:ASP301
|
3.9
|
20.8
|
1.0
|
CB
|
A:ASP301
|
4.1
|
23.8
|
1.0
|
CB
|
A:ASP258
|
4.1
|
17.3
|
1.0
|
N34
|
H:00S5
|
4.1
|
13.0
|
1.0
|
CA
|
A:ASP258
|
4.2
|
22.1
|
1.0
|
O
|
A:HOH931
|
4.2
|
39.6
|
1.0
|
CG
|
A:GLU331
|
4.3
|
19.4
|
1.0
|
OD2
|
A:ASP258
|
4.3
|
16.7
|
1.0
|
O
|
A:SER302
|
4.5
|
23.0
|
1.0
|
OD2
|
A:ASP306
|
4.5
|
19.8
|
1.0
|
O
|
A:SER293
|
4.5
|
21.1
|
1.0
|
O
|
A:HOH896
|
4.6
|
26.3
|
1.0
|
O
|
A:GLU257
|
4.6
|
24.2
|
1.0
|
CA
|
A:GLY294
|
4.7
|
18.6
|
1.0
|
CB
|
A:ASP306
|
4.8
|
17.3
|
1.0
|
C27
|
H:00S5
|
4.8
|
17.1
|
1.0
|
N
|
A:GLY296
|
4.8
|
19.2
|
1.0
|
O
|
A:PRO256
|
4.8
|
20.8
|
1.0
|
CA
|
A:CYS303
|
4.9
|
23.0
|
1.0
|
C
|
A:SER302
|
4.9
|
23.9
|
1.0
|
N
|
A:ASP258
|
4.9
|
20.4
|
1.0
|
|
Calcium binding site 3 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 3 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca606
b:31.4
occ:1.00
|
O
|
A:HOH734
|
2.3
|
30.9
|
1.0
|
O
|
A:HOH729
|
2.4
|
17.6
|
1.0
|
O
|
A:ASP181
|
2.4
|
25.9
|
1.0
|
OD2
|
A:ASP174
|
2.4
|
21.3
|
1.0
|
OD2
|
A:ASP179
|
2.5
|
27.5
|
1.0
|
OD1
|
A:ASP179
|
2.7
|
26.2
|
1.0
|
O
|
A:HOH902
|
2.7
|
30.1
|
1.0
|
CG
|
A:ASP179
|
3.0
|
26.1
|
1.0
|
CG
|
A:ASP174
|
3.3
|
20.8
|
1.0
|
CB
|
A:ASP174
|
3.5
|
18.1
|
1.0
|
C
|
A:ASP181
|
3.5
|
26.5
|
1.0
|
CB
|
A:ASP181
|
4.1
|
27.5
|
1.0
|
CA
|
A:ASP181
|
4.2
|
27.3
|
1.0
|
CB
|
A:ASP179
|
4.5
|
25.2
|
1.0
|
N
|
A:ASP181
|
4.5
|
27.0
|
1.0
|
OD1
|
A:ASP174
|
4.5
|
19.1
|
1.0
|
O
|
A:HOH903
|
4.6
|
48.3
|
1.0
|
CB
|
A:ASP177
|
4.6
|
29.2
|
1.0
|
CG
|
A:ASP181
|
4.6
|
31.7
|
1.0
|
N
|
A:PRO182
|
4.6
|
25.3
|
1.0
|
NH2
|
A:ARG225
|
4.6
|
22.7
|
1.0
|
OD2
|
A:ASP177
|
4.7
|
37.6
|
1.0
|
O
|
A:HOH847
|
4.8
|
33.6
|
1.0
|
OD2
|
A:ASP181
|
4.9
|
33.9
|
1.0
|
O
|
A:GLN183
|
4.9
|
17.5
|
1.0
|
N
|
A:GLN183
|
4.9
|
21.6
|
1.0
|
CA
|
A:PRO182
|
4.9
|
24.1
|
1.0
|
|
Calcium binding site 4 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 4 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca604
b:28.7
occ:1.00
|
O
|
B:VAL205
|
2.2
|
25.8
|
1.0
|
OD2
|
B:ASP115
|
2.2
|
25.9
|
1.0
|
O
|
B:GLY212
|
2.3
|
27.9
|
1.0
|
O
|
B:VAL210
|
2.4
|
34.2
|
1.0
|
OD1
|
B:ASP162
|
2.4
|
35.2
|
1.0
|
OD1
|
B:ASN208
|
2.5
|
32.4
|
1.0
|
OD2
|
B:ASP162
|
2.7
|
33.8
|
1.0
|
CG
|
B:ASP162
|
2.9
|
34.2
|
1.0
|
CG
|
B:ASP115
|
3.4
|
25.9
|
1.0
|
C
|
B:VAL205
|
3.4
|
26.6
|
1.0
|
CG
|
B:ASN208
|
3.5
|
32.5
|
1.0
|
C
|
B:VAL210
|
3.5
|
34.7
|
1.0
|
C
|
B:GLY212
|
3.6
|
29.1
|
1.0
|
ND2
|
B:ASN208
|
3.9
|
29.3
|
1.0
|
CB
|
B:ASP115
|
4.1
|
27.6
|
1.0
|
N
|
B:GLY212
|
4.2
|
31.9
|
1.0
|
CA
|
B:VAL210
|
4.2
|
32.5
|
1.0
|
N
|
B:VAL210
|
4.2
|
34.1
|
1.0
|
N
|
B:ALA206
|
4.3
|
25.5
|
1.0
|
C
|
B:CYS211
|
4.3
|
33.3
|
1.0
|
CB
|
B:VAL210
|
4.3
|
34.7
|
1.0
|
OD1
|
B:ASP115
|
4.3
|
27.8
|
1.0
|
CA
|
B:ALA206
|
4.3
|
27.6
|
1.0
|
CA
|
B:GLY212
|
4.4
|
29.4
|
1.0
|
CA
|
B:VAL205
|
4.4
|
26.6
|
1.0
|
CB
|
B:ASP162
|
4.4
|
31.8
|
1.0
|
N
|
B:VAL205
|
4.4
|
28.1
|
1.0
|
O
|
B:HOH756
|
4.5
|
32.0
|
1.0
|
N
|
B:VAL213
|
4.5
|
29.6
|
1.0
|
CG1
|
B:VAL213
|
4.6
|
30.3
|
1.0
|
N
|
B:CYS211
|
4.6
|
33.0
|
1.0
|
O
|
B:CYS211
|
4.6
|
32.4
|
1.0
|
CA
|
B:VAL213
|
4.7
|
28.4
|
1.0
|
CB
|
B:VAL205
|
4.7
|
28.6
|
1.0
|
N
|
B:ASN208
|
4.7
|
31.6
|
1.0
|
C
|
B:ALA206
|
4.7
|
28.4
|
1.0
|
CB
|
B:ASN208
|
4.8
|
32.4
|
1.0
|
CA
|
B:CYS211
|
4.9
|
34.0
|
1.0
|
C
|
B:ALA204
|
4.9
|
28.1
|
1.0
|
N
|
B:ASN207
|
4.9
|
29.4
|
1.0
|
CB
|
B:CYS211
|
4.9
|
36.4
|
1.0
|
CG1
|
B:VAL210
|
5.0
|
33.9
|
1.0
|
CB
|
B:ALA204
|
5.0
|
23.8
|
1.0
|
|
Calcium binding site 5 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 5 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca605
b:18.4
occ:1.00
|
OD1
|
B:ASP258
|
2.3
|
17.5
|
1.0
|
OD2
|
B:ASP301
|
2.3
|
17.3
|
1.0
|
OE1
|
B:GLU331
|
2.3
|
16.9
|
1.0
|
O
|
B:HOH837
|
2.5
|
21.7
|
1.0
|
O
|
B:HOH744
|
2.5
|
17.1
|
1.0
|
OE2
|
B:GLU331
|
2.5
|
20.9
|
1.0
|
O
|
B:HOH716
|
2.5
|
14.7
|
1.0
|
CD
|
B:GLU331
|
2.7
|
18.3
|
1.0
|
CG
|
B:ASP301
|
3.2
|
19.8
|
1.0
|
CG
|
B:ASP258
|
3.4
|
24.3
|
1.0
|
OD1
|
B:ASP301
|
4.0
|
18.7
|
1.0
|
CB
|
B:ASP301
|
4.1
|
18.8
|
1.0
|
CB
|
B:ASP258
|
4.1
|
21.3
|
1.0
|
N34
|
I:00S5
|
4.1
|
17.2
|
1.0
|
CA
|
B:ASP258
|
4.2
|
22.9
|
1.0
|
CG
|
B:GLU331
|
4.3
|
18.7
|
1.0
|
OD2
|
B:ASP258
|
4.3
|
21.9
|
1.0
|
O
|
B:HOH866
|
4.3
|
30.2
|
1.0
|
O
|
B:HOH791
|
4.4
|
20.3
|
1.0
|
O
|
B:SER293
|
4.5
|
21.3
|
1.0
|
OD2
|
B:ASP306
|
4.5
|
13.9
|
1.0
|
O
|
B:SER302
|
4.5
|
17.7
|
1.0
|
CA
|
B:GLY294
|
4.6
|
20.5
|
1.0
|
O
|
B:GLU257
|
4.7
|
23.5
|
1.0
|
CB
|
B:ASP306
|
4.8
|
18.1
|
1.0
|
N
|
B:GLY296
|
4.8
|
19.0
|
1.0
|
C27
|
I:00S5
|
4.8
|
16.9
|
1.0
|
O
|
B:PRO256
|
4.8
|
20.5
|
1.0
|
CA
|
B:CYS303
|
4.9
|
19.0
|
1.0
|
C
|
B:SER302
|
4.9
|
21.7
|
1.0
|
N
|
B:ASP258
|
4.9
|
23.2
|
1.0
|
CA
|
B:GLY296
|
5.0
|
16.0
|
1.0
|
|
Calcium binding site 6 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 6 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca606
b:38.3
occ:1.00
|
O
|
B:ASP181
|
2.3
|
33.7
|
1.0
|
O
|
B:HOH772
|
2.4
|
32.3
|
1.0
|
OD2
|
B:ASP174
|
2.5
|
21.5
|
1.0
|
OD2
|
B:ASP179
|
2.5
|
38.9
|
1.0
|
O
|
B:HOH838
|
2.6
|
39.5
|
1.0
|
OD1
|
B:ASP179
|
2.6
|
37.4
|
1.0
|
O
|
B:HOH810
|
2.6
|
28.7
|
1.0
|
CG
|
B:ASP179
|
2.9
|
35.9
|
1.0
|
CG
|
B:ASP174
|
3.3
|
26.4
|
1.0
|
C
|
B:ASP181
|
3.5
|
32.1
|
1.0
|
CB
|
B:ASP174
|
3.5
|
26.9
|
1.0
|
CB
|
B:ASP181
|
4.0
|
35.6
|
1.0
|
CA
|
B:ASP181
|
4.1
|
31.6
|
1.0
|
N
|
B:ASP181
|
4.4
|
34.0
|
1.0
|
CB
|
B:ASP179
|
4.4
|
35.2
|
1.0
|
CG
|
B:ASP181
|
4.4
|
37.5
|
1.0
|
OD1
|
B:ASP174
|
4.5
|
27.8
|
1.0
|
N
|
B:PRO182
|
4.5
|
31.4
|
1.0
|
CB
|
B:ASP177
|
4.6
|
36.8
|
1.0
|
OD2
|
B:ASP177
|
4.6
|
43.2
|
1.0
|
NH2
|
B:ARG225
|
4.6
|
28.3
|
1.0
|
OD2
|
B:ASP181
|
4.7
|
42.0
|
1.0
|
O
|
B:GLN183
|
4.9
|
26.7
|
1.0
|
N
|
B:GLN183
|
4.9
|
29.3
|
1.0
|
CA
|
B:PRO182
|
4.9
|
30.1
|
1.0
|
|
Calcium binding site 7 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 7 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca604
b:17.6
occ:1.00
|
O
|
C:VAL205
|
2.2
|
17.0
|
1.0
|
O
|
C:VAL210
|
2.3
|
15.9
|
1.0
|
OD2
|
C:ASP115
|
2.4
|
22.9
|
1.0
|
O
|
C:GLY212
|
2.4
|
19.8
|
1.0
|
OD1
|
C:ASP162
|
2.4
|
20.2
|
1.0
|
OD1
|
C:ASN208
|
2.5
|
19.3
|
1.0
|
OD2
|
C:ASP162
|
2.7
|
19.0
|
1.0
|
CG
|
C:ASP162
|
2.9
|
19.5
|
1.0
|
C
|
C:VAL205
|
3.4
|
19.2
|
1.0
|
CG
|
C:ASP115
|
3.5
|
23.7
|
1.0
|
C
|
C:VAL210
|
3.5
|
20.3
|
1.0
|
CG
|
C:ASN208
|
3.5
|
21.6
|
1.0
|
C
|
C:GLY212
|
3.6
|
18.8
|
1.0
|
ND2
|
C:ASN208
|
3.9
|
24.5
|
1.0
|
CB
|
C:ASP115
|
4.1
|
21.7
|
1.0
|
N
|
C:GLY212
|
4.2
|
24.0
|
1.0
|
CA
|
C:VAL210
|
4.2
|
22.0
|
1.0
|
N
|
C:VAL210
|
4.2
|
24.2
|
1.0
|
CB
|
C:VAL210
|
4.3
|
23.5
|
1.0
|
N
|
C:ALA206
|
4.3
|
17.0
|
1.0
|
C
|
C:CYS211
|
4.3
|
26.0
|
1.0
|
CA
|
C:ALA206
|
4.4
|
20.5
|
1.0
|
CA
|
C:VAL205
|
4.4
|
19.9
|
1.0
|
CA
|
C:GLY212
|
4.4
|
19.2
|
1.0
|
CB
|
C:ASP162
|
4.4
|
20.5
|
1.0
|
OD1
|
C:ASP115
|
4.4
|
21.3
|
1.0
|
N
|
C:VAL205
|
4.5
|
21.0
|
1.0
|
N
|
C:CYS211
|
4.6
|
21.8
|
1.0
|
N
|
C:VAL213
|
4.6
|
16.9
|
1.0
|
CG1
|
C:VAL213
|
4.6
|
15.7
|
1.0
|
O
|
C:CYS211
|
4.6
|
25.1
|
1.0
|
CA
|
C:VAL213
|
4.7
|
16.8
|
1.0
|
N
|
C:ASN208
|
4.7
|
23.5
|
1.0
|
CB
|
C:VAL205
|
4.7
|
21.0
|
1.0
|
C
|
C:ALA206
|
4.8
|
19.7
|
1.0
|
O
|
C:HOH717
|
4.8
|
17.1
|
1.0
|
CB
|
C:ASN208
|
4.8
|
23.1
|
1.0
|
CA
|
C:CYS211
|
4.8
|
24.7
|
1.0
|
N
|
C:ASN207
|
4.9
|
18.9
|
1.0
|
C
|
C:ALA204
|
4.9
|
21.7
|
1.0
|
CB
|
C:CYS211
|
4.9
|
28.6
|
1.0
|
CG1
|
C:VAL210
|
4.9
|
20.4
|
1.0
|
|
Calcium binding site 8 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 8 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca605
b:20.6
occ:1.00
|
OD2
|
C:ASP301
|
2.3
|
20.9
|
1.0
|
OD1
|
C:ASP258
|
2.3
|
16.6
|
1.0
|
O
|
C:HOH728
|
2.4
|
14.9
|
1.0
|
O
|
C:HOH750
|
2.4
|
18.3
|
1.0
|
OE1
|
C:GLU331
|
2.5
|
14.7
|
1.0
|
O
|
C:HOH791
|
2.5
|
19.2
|
1.0
|
OE2
|
C:GLU331
|
2.6
|
15.1
|
1.0
|
CD
|
C:GLU331
|
2.8
|
17.8
|
1.0
|
CG
|
C:ASP301
|
3.3
|
22.4
|
1.0
|
CG
|
C:ASP258
|
3.4
|
21.3
|
1.0
|
OD1
|
C:ASP301
|
4.0
|
18.5
|
1.0
|
CB
|
C:ASP301
|
4.1
|
21.0
|
1.0
|
CB
|
C:ASP258
|
4.1
|
22.3
|
1.0
|
N34
|
J:00S5
|
4.1
|
14.3
|
1.0
|
CA
|
C:ASP258
|
4.2
|
23.2
|
1.0
|
O
|
C:HOH850
|
4.2
|
28.2
|
1.0
|
OD2
|
C:ASP258
|
4.3
|
23.4
|
1.0
|
CG
|
C:GLU331
|
4.4
|
17.7
|
1.0
|
O
|
C:SER302
|
4.5
|
22.1
|
1.0
|
O
|
C:SER293
|
4.5
|
19.8
|
1.0
|
O
|
C:HOH787
|
4.6
|
20.0
|
1.0
|
O
|
C:GLU257
|
4.6
|
22.6
|
1.0
|
OD2
|
C:ASP306
|
4.6
|
20.8
|
1.0
|
CA
|
C:GLY294
|
4.7
|
19.5
|
1.0
|
CB
|
C:ASP306
|
4.7
|
18.4
|
1.0
|
O
|
C:PRO256
|
4.8
|
21.1
|
1.0
|
CA
|
C:CYS303
|
4.8
|
20.8
|
1.0
|
C27
|
J:00S5
|
4.8
|
14.0
|
1.0
|
N
|
C:GLY296
|
4.9
|
18.2
|
1.0
|
C
|
C:SER302
|
4.9
|
22.9
|
1.0
|
N
|
C:ASP258
|
4.9
|
22.2
|
1.0
|
|
Calcium binding site 9 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 9 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca606
b:33.8
occ:1.00
|
O
|
C:HOH859
|
2.3
|
35.3
|
1.0
|
O
|
C:ASP181
|
2.4
|
28.4
|
1.0
|
OD2
|
C:ASP174
|
2.4
|
26.1
|
1.0
|
OD1
|
C:ASP179
|
2.4
|
32.5
|
1.0
|
O
|
C:HOH800
|
2.5
|
24.2
|
1.0
|
OD2
|
C:ASP179
|
2.6
|
28.7
|
1.0
|
O
|
C:HOH803
|
2.6
|
35.5
|
1.0
|
CG
|
C:ASP179
|
2.8
|
29.8
|
1.0
|
CG
|
C:ASP174
|
3.3
|
25.8
|
1.0
|
CB
|
C:ASP174
|
3.5
|
22.1
|
1.0
|
C
|
C:ASP181
|
3.5
|
26.8
|
1.0
|
CB
|
C:ASP181
|
4.0
|
31.4
|
1.0
|
CA
|
C:ASP181
|
4.2
|
30.2
|
1.0
|
CB
|
C:ASP179
|
4.3
|
31.8
|
1.0
|
N
|
C:ASP181
|
4.4
|
31.2
|
1.0
|
OD2
|
C:ASP177
|
4.4
|
43.5
|
1.0
|
OD1
|
C:ASP174
|
4.4
|
25.6
|
1.0
|
CB
|
C:ASP177
|
4.5
|
36.3
|
1.0
|
N
|
C:PRO182
|
4.6
|
27.9
|
1.0
|
CG
|
C:ASP181
|
4.6
|
31.4
|
1.0
|
NH2
|
C:ARG225
|
4.6
|
17.5
|
1.0
|
OD1
|
C:ASP181
|
4.9
|
33.1
|
1.0
|
CA
|
C:PRO182
|
4.9
|
27.1
|
1.0
|
O
|
C:GLN183
|
4.9
|
25.8
|
1.0
|
N
|
C:GLN183
|
5.0
|
27.5
|
1.0
|
CA
|
C:ASP174
|
5.0
|
22.0
|
1.0
|
CG
|
C:ASP177
|
5.0
|
40.2
|
1.0
|
|
Calcium binding site 10 out
of 18 in 4ryd
Go back to
Calcium Binding Sites List in 4ryd
Calcium binding site 10 out
of 18 in the X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of X-Ray Structure of Human Furin in Complex with the Competitive Inhibitor Para-Guanidinomethyl-Phac-R-Tle-R-Amba within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca604
b:24.9
occ:1.00
|
OD2
|
D:ASP115
|
2.3
|
24.9
|
1.0
|
O
|
D:VAL205
|
2.3
|
15.9
|
1.0
|
O
|
D:VAL210
|
2.3
|
22.2
|
1.0
|
O
|
D:GLY212
|
2.4
|
23.5
|
1.0
|
OD1
|
D:ASP162
|
2.4
|
24.8
|
1.0
|
OD1
|
D:ASN208
|
2.5
|
18.9
|
1.0
|
OD2
|
D:ASP162
|
2.6
|
22.6
|
1.0
|
CG
|
D:ASP162
|
2.9
|
23.8
|
1.0
|
CG
|
D:ASP115
|
3.4
|
26.8
|
1.0
|
C
|
D:VAL210
|
3.5
|
25.4
|
1.0
|
C
|
D:VAL205
|
3.5
|
22.1
|
1.0
|
CG
|
D:ASN208
|
3.5
|
26.1
|
1.0
|
C
|
D:GLY212
|
3.6
|
23.1
|
1.0
|
ND2
|
D:ASN208
|
4.0
|
16.3
|
1.0
|
CB
|
D:ASP115
|
4.1
|
25.3
|
1.0
|
N
|
D:GLY212
|
4.2
|
27.2
|
1.0
|
CA
|
D:VAL210
|
4.2
|
26.3
|
1.0
|
N
|
D:VAL210
|
4.2
|
28.2
|
1.0
|
C
|
D:CYS211
|
4.3
|
30.8
|
1.0
|
CB
|
D:VAL210
|
4.3
|
27.5
|
1.0
|
OD1
|
D:ASP115
|
4.4
|
28.0
|
1.0
|
CB
|
D:ASP162
|
4.4
|
21.8
|
1.0
|
CA
|
D:GLY212
|
4.4
|
22.8
|
1.0
|
N
|
D:ALA206
|
4.4
|
22.1
|
1.0
|
CA
|
D:ALA206
|
4.4
|
24.4
|
1.0
|
CA
|
D:VAL205
|
4.4
|
21.5
|
1.0
|
N
|
D:VAL205
|
4.5
|
22.5
|
1.0
|
N
|
D:CYS211
|
4.5
|
28.2
|
1.0
|
O
|
D:CYS211
|
4.6
|
30.9
|
1.0
|
N
|
D:VAL213
|
4.6
|
19.8
|
1.0
|
O
|
D:HOH798
|
4.6
|
20.7
|
1.0
|
CG1
|
D:VAL213
|
4.6
|
24.3
|
1.0
|
CA
|
D:VAL213
|
4.7
|
20.6
|
1.0
|
CB
|
D:VAL205
|
4.7
|
23.2
|
1.0
|
N
|
D:ASN208
|
4.8
|
26.8
|
1.0
|
CA
|
D:CYS211
|
4.8
|
30.2
|
1.0
|
C
|
D:ALA206
|
4.8
|
24.5
|
1.0
|
CB
|
D:ASN208
|
4.8
|
24.3
|
1.0
|
CG1
|
D:VAL210
|
4.9
|
24.9
|
1.0
|
CB
|
D:CYS211
|
4.9
|
31.4
|
1.0
|
C
|
D:ALA204
|
4.9
|
21.9
|
1.0
|
N
|
D:ASN207
|
4.9
|
24.5
|
1.0
|
|
Reference:
K.Hardes,
G.L.Becker,
Y.Lu,
S.O.Dahms,
S.Kohler,
W.Beyer,
K.Sandvig,
H.Yamamoto,
I.Lindberg,
L.Walz,
V.Von Messling,
M.E.Than,
W.Garten,
T.Steinmetzer.
Novel Furin Inhibitors with Potent Anti-Infectious Activity. Chemmedchem 2015.
ISSN: ESSN 1860-7187
PubMed: 25974265
DOI: 10.1002/CMDC.201500103
Page generated: Sun Jul 14 13:21:14 2024
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