Calcium in PDB 7c23: Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Protein crystallography data
The structure of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase, PDB code: 7c23
was solved by
Z.Li,
J.Li,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
34.82 /
1.90
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
116.655,
37.019,
99.747,
90.00,
99.06,
90.00
|
R / Rfree (%)
|
16.3 /
19.5
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
(pdb code 7c23). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the
Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase, PDB code: 7c23:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
Calcium binding site 1 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 1 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:19.4
occ:1.00
|
O
|
A:HOH477
|
2.3
|
19.9
|
1.0
|
OD2
|
A:ASP200
|
2.3
|
17.5
|
1.0
|
OE2
|
B:GLU159
|
2.4
|
20.8
|
1.0
|
O
|
B:HOH413
|
2.4
|
19.6
|
1.0
|
CD
|
B:GLU159
|
3.4
|
25.2
|
1.0
|
CG
|
A:ASP200
|
3.5
|
17.5
|
1.0
|
OE1
|
B:GLU159
|
3.7
|
22.1
|
1.0
|
HB3
|
A:ASP200
|
3.7
|
18.2
|
1.0
|
HA
|
A:ARG201
|
3.9
|
17.2
|
1.0
|
CA
|
A:CA303
|
3.9
|
18.1
|
1.0
|
OD2
|
A:ASP204
|
4.1
|
19.1
|
1.0
|
CB
|
A:ASP200
|
4.2
|
15.2
|
1.0
|
HB2
|
A:ARG201
|
4.2
|
17.0
|
1.0
|
O
|
B:HOH476
|
4.2
|
32.9
|
1.0
|
HD2
|
A:ARG201
|
4.2
|
26.7
|
1.0
|
HD3
|
A:ARG201
|
4.4
|
26.7
|
1.0
|
N
|
A:ARG201
|
4.4
|
16.9
|
1.0
|
OD1
|
A:ASP200
|
4.5
|
19.7
|
1.0
|
CA
|
A:ARG201
|
4.5
|
14.4
|
1.0
|
C
|
A:ASP200
|
4.5
|
17.8
|
1.0
|
CG
|
B:GLU159
|
4.6
|
24.5
|
1.0
|
H
|
A:ARG201
|
4.7
|
20.3
|
1.0
|
HG3
|
A:GLN197
|
4.7
|
19.9
|
1.0
|
HG2
|
B:GLU159
|
4.7
|
29.4
|
1.0
|
CD
|
A:ARG201
|
4.8
|
22.2
|
1.0
|
CB
|
A:ARG201
|
4.8
|
14.2
|
1.0
|
O
|
A:ASP200
|
4.8
|
17.9
|
1.0
|
HB2
|
A:ASP200
|
4.9
|
18.2
|
1.0
|
HG3
|
B:GLU159
|
4.9
|
29.4
|
1.0
|
O
|
A:GLN197
|
4.9
|
17.4
|
1.0
|
|
Calcium binding site 2 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 2 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:19.6
occ:1.00
|
O
|
A:HOH441
|
2.3
|
20.8
|
1.0
|
OD1
|
A:ASP200
|
2.4
|
19.7
|
1.0
|
O
|
A:HOH541
|
2.4
|
33.3
|
1.0
|
O
|
A:HOH540
|
2.5
|
30.6
|
1.0
|
CG
|
A:ASP200
|
3.6
|
17.5
|
1.0
|
HA
|
A:ASP200
|
3.9
|
22.8
|
1.0
|
CA
|
A:CA303
|
3.9
|
18.1
|
1.0
|
HB2
|
A:ASP200
|
4.0
|
18.2
|
1.0
|
CB
|
A:ASP200
|
4.3
|
15.2
|
1.0
|
OD2
|
A:ASP203
|
4.5
|
32.9
|
1.0
|
CA
|
A:ASP200
|
4.6
|
19.0
|
1.0
|
OD2
|
A:ASP200
|
4.6
|
17.5
|
1.0
|
OD1
|
A:ASP204
|
4.6
|
20.0
|
1.0
|
HB3
|
A:ASP203
|
4.7
|
22.9
|
1.0
|
O
|
A:HOH440
|
4.9
|
26.4
|
1.0
|
|
Calcium binding site 3 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 3 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca303
b:18.1
occ:1.00
|
OD2
|
A:ASP204
|
2.4
|
19.1
|
1.0
|
OD1
|
A:ASP200
|
2.5
|
19.7
|
1.0
|
OD2
|
A:ASP200
|
2.5
|
17.5
|
1.0
|
CG
|
A:ASP200
|
2.9
|
17.5
|
1.0
|
CG
|
A:ASP204
|
3.4
|
21.1
|
1.0
|
OD1
|
A:ASP204
|
3.8
|
20.0
|
1.0
|
CA
|
A:CA301
|
3.9
|
19.4
|
1.0
|
CA
|
A:CA302
|
3.9
|
19.6
|
1.0
|
O
|
A:HOH477
|
4.0
|
19.9
|
1.0
|
O
|
A:HOH441
|
4.1
|
20.8
|
1.0
|
CB
|
A:ASP200
|
4.3
|
15.2
|
1.0
|
O
|
A:HOH541
|
4.4
|
33.3
|
1.0
|
O
|
A:ASP200
|
4.7
|
17.9
|
1.0
|
CB
|
A:ASP204
|
4.7
|
21.6
|
1.0
|
HB2
|
A:ASP200
|
4.8
|
18.2
|
1.0
|
HB3
|
A:ASP200
|
4.8
|
18.2
|
1.0
|
HB2
|
A:ASP204
|
4.8
|
25.9
|
1.0
|
HA
|
A:ASP200
|
5.0
|
22.8
|
1.0
|
HB3
|
A:ASP204
|
5.0
|
25.9
|
1.0
|
|
Calcium binding site 4 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 4 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca304
b:20.4
occ:1.00
|
O
|
A:HOH529
|
2.3
|
23.7
|
1.0
|
OD1
|
A:ASP123
|
2.4
|
20.0
|
1.0
|
O
|
A:ASP120
|
2.4
|
21.2
|
1.0
|
OD1
|
A:ASP120
|
2.4
|
20.8
|
1.0
|
C
|
A:ASP120
|
3.3
|
19.9
|
1.0
|
HA
|
A:ASP123
|
3.5
|
24.4
|
1.0
|
CG
|
A:ASP120
|
3.5
|
26.9
|
1.0
|
CG
|
A:ASP123
|
3.6
|
28.4
|
1.0
|
HA
|
A:ASP120
|
3.6
|
26.1
|
1.0
|
H
|
A:ASP123
|
3.8
|
23.7
|
1.0
|
CA
|
A:CA305
|
3.9
|
18.8
|
1.0
|
CA
|
A:ASP120
|
3.9
|
21.8
|
1.0
|
CA
|
A:CA306
|
4.0
|
21.3
|
1.0
|
HA
|
A:GLN121
|
4.1
|
29.1
|
1.0
|
CA
|
A:ASP123
|
4.2
|
20.4
|
1.0
|
CB
|
A:ASP120
|
4.3
|
20.7
|
1.0
|
N
|
A:GLN121
|
4.3
|
21.2
|
1.0
|
N
|
A:ASP123
|
4.3
|
19.8
|
1.0
|
OD2
|
A:ASP120
|
4.5
|
23.3
|
1.0
|
OD2
|
A:ASP123
|
4.5
|
26.0
|
1.0
|
CB
|
A:ASP123
|
4.5
|
22.8
|
1.0
|
CA
|
A:GLN121
|
4.6
|
24.2
|
1.0
|
O
|
A:HOH539
|
4.6
|
25.2
|
1.0
|
HB3
|
A:ASP120
|
4.7
|
24.8
|
1.0
|
O
|
A:HOH553
|
4.8
|
36.4
|
1.0
|
C
|
A:GLN121
|
4.9
|
33.7
|
1.0
|
HB3
|
A:ASP123
|
4.9
|
27.4
|
1.0
|
|
Calcium binding site 5 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 5 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca305
b:18.8
occ:1.00
|
OD2
|
A:ASP123
|
2.4
|
26.0
|
1.0
|
O
|
A:HOH539
|
2.4
|
25.2
|
1.0
|
OD1
|
A:ASP123
|
2.7
|
20.0
|
1.0
|
CG
|
A:ASP123
|
2.8
|
28.4
|
1.0
|
CA
|
A:CA304
|
3.9
|
20.4
|
1.0
|
CB
|
A:ASP123
|
4.3
|
22.8
|
1.0
|
HB3
|
A:ASP123
|
4.5
|
27.4
|
1.0
|
O
|
A:HOH529
|
4.6
|
23.7
|
1.0
|
O
|
A:HOH463
|
4.7
|
32.4
|
1.0
|
HB2
|
A:ASP123
|
4.7
|
27.4
|
1.0
|
O
|
A:HOH468
|
4.8
|
33.9
|
1.0
|
|
Calcium binding site 6 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 6 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca306
b:21.3
occ:1.00
|
O
|
A:HOH509
|
2.4
|
38.2
|
1.0
|
OD2
|
A:ASP120
|
2.4
|
23.3
|
1.0
|
O
|
A:HOH518
|
2.6
|
32.2
|
1.0
|
OD1
|
A:ASP120
|
2.7
|
20.8
|
1.0
|
CG
|
A:ASP120
|
2.9
|
26.9
|
1.0
|
CA
|
A:CA304
|
4.0
|
20.4
|
1.0
|
O
|
A:HOH529
|
4.3
|
23.7
|
1.0
|
O
|
A:HOH418
|
4.3
|
32.2
|
1.0
|
CB
|
A:ASP120
|
4.4
|
20.7
|
1.0
|
O
|
A:HOH464
|
4.6
|
28.8
|
1.0
|
HB3
|
A:ASP120
|
4.8
|
24.8
|
1.0
|
HB2
|
A:ASP120
|
4.8
|
24.8
|
1.0
|
O
|
A:HOH553
|
4.9
|
36.4
|
1.0
|
|
Calcium binding site 7 out
of 7 in 7c23
Go back to
Calcium Binding Sites List in 7c23
Calcium binding site 7 out
of 7 in the Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of CRME10, A Sgnh-Hydrolase Family Esterase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca309
b:52.1
occ:1.00
|
O
|
A:HOH456
|
2.1
|
37.9
|
1.0
|
O
|
A:HOH443
|
2.5
|
33.8
|
1.0
|
O
|
A:ASP203
|
2.6
|
22.2
|
1.0
|
O
|
A:HOH437
|
2.6
|
31.5
|
1.0
|
O
|
A:LEU205
|
3.0
|
32.4
|
1.0
|
C
|
A:ASP203
|
3.7
|
23.4
|
1.0
|
HA
|
A:ASP203
|
4.1
|
23.8
|
1.0
|
C
|
A:LEU205
|
4.1
|
35.2
|
1.0
|
H
|
A:LEU205
|
4.2
|
29.6
|
1.0
|
N
|
A:LEU205
|
4.3
|
24.7
|
1.0
|
HA
|
A:ASP204
|
4.3
|
22.0
|
1.0
|
O
|
A:HOH569
|
4.4
|
44.5
|
1.0
|
C
|
A:ASP204
|
4.5
|
24.6
|
1.0
|
CA
|
A:ASP203
|
4.5
|
19.8
|
1.0
|
O
|
A:ILE202
|
4.5
|
17.9
|
1.0
|
N
|
A:ASP204
|
4.6
|
16.8
|
1.0
|
HB2
|
A:LEU205
|
4.6
|
34.2
|
1.0
|
CA
|
A:ASP204
|
4.7
|
18.4
|
1.0
|
OD1
|
A:ASP203
|
4.7
|
32.4
|
1.0
|
CA
|
A:LEU205
|
4.7
|
24.1
|
1.0
|
O
|
A:HOH453
|
4.8
|
26.6
|
1.0
|
|
Reference:
Z.Li,
J.Li.
C-Terminal Swapped Dimers Revealed A New Catalytic Mechanism of Sgnh-Hydrolase Family Esterase To Be Published.
Page generated: Thu Jul 18 23:25:38 2024
|