Calcium in PDB 4zrv: Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
Protein crystallography data
The structure of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate, PDB code: 4zrv
was solved by
H.Feinberg,
N.D.S.Rambaruth,
M.E.Taylor,
K.Drickamer,
W.I.Weis,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
38.22 /
2.10
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.464,
46.676,
77.920,
90.00,
101.16,
90.00
|
|
R / Rfree (%)
|
16.3 /
20.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
(pdb code 4zrv). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the
Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate, PDB code: 4zrv:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Calcium binding site 1 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 1 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca302
b:12.0
occ:1.00
|
OD1
|
A:ASP193
|
2.4
|
12.0
|
1.0
|
|
OD1
|
A:ASN170
|
2.4
|
13.0
|
1.0
|
|
OE1
|
A:GLU176
|
2.4
|
10.9
|
1.0
|
|
O4P
|
A:4RS301
|
2.4
|
11.0
|
1.0
|
|
OD1
|
A:ASN192
|
2.4
|
10.5
|
1.0
|
|
O
|
A:ASP193
|
2.5
|
8.1
|
1.0
|
|
O3P
|
A:4RS301
|
2.5
|
11.2
|
1.0
|
|
OE1
|
A:GLU168
|
2.5
|
11.6
|
1.0
|
|
C3P
|
A:4RS301
|
3.2
|
15.7
|
1.0
|
|
C4P
|
A:4RS301
|
3.3
|
11.8
|
1.0
|
|
CG
|
A:ASN170
|
3.3
|
15.2
|
1.0
|
|
CD
|
A:GLU176
|
3.3
|
12.7
|
1.0
|
|
CG
|
A:ASP193
|
3.4
|
9.7
|
1.0
|
|
CD
|
A:GLU168
|
3.4
|
13.8
|
1.0
|
|
CG
|
A:ASN192
|
3.5
|
11.2
|
1.0
|
|
C
|
A:ASP193
|
3.5
|
9.3
|
1.0
|
|
OE2
|
A:GLU176
|
3.6
|
15.3
|
1.0
|
|
N
|
A:ASP193
|
3.6
|
10.2
|
1.0
|
|
OE2
|
A:GLU168
|
3.7
|
15.4
|
1.0
|
|
ND2
|
A:ASN170
|
3.7
|
14.0
|
1.0
|
|
ND2
|
A:ASN192
|
3.9
|
9.6
|
1.0
|
|
CA
|
A:ASP193
|
3.9
|
8.5
|
1.0
|
|
OD2
|
A:ASP193
|
4.2
|
12.9
|
1.0
|
|
N
|
A:ASN170
|
4.2
|
13.6
|
1.0
|
|
CB
|
A:ASP193
|
4.2
|
6.6
|
1.0
|
|
CB
|
A:ASN170
|
4.6
|
15.4
|
1.0
|
|
CG
|
A:GLU176
|
4.6
|
12.8
|
1.0
|
|
C5P
|
A:4RS301
|
4.7
|
15.1
|
1.0
|
|
C2P
|
A:4RS301
|
4.7
|
16.6
|
1.0
|
|
N
|
A:VAL194
|
4.7
|
10.0
|
1.0
|
|
CG
|
A:GLU168
|
4.7
|
11.7
|
1.0
|
|
C
|
A:ASN192
|
4.7
|
14.7
|
1.0
|
|
N
|
A:ASN171
|
4.7
|
10.1
|
1.0
|
|
CB
|
A:LEU172
|
4.7
|
17.1
|
1.0
|
|
CB
|
A:ASN192
|
4.8
|
8.4
|
1.0
|
|
N
|
A:LEU172
|
4.8
|
10.8
|
1.0
|
|
CA
|
A:ASN170
|
4.8
|
16.2
|
1.0
|
|
CB
|
A:GLU176
|
4.8
|
11.6
|
1.0
|
|
CA
|
A:ASN192
|
4.9
|
8.3
|
1.0
|
|
Calcium binding site 2 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 2 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca303
b:10.6
occ:1.00
|
OE2
|
A:GLU205
|
2.3
|
12.1
|
1.0
|
|
O
|
A:VAL116
|
2.4
|
12.3
|
1.0
|
|
OE2
|
A:GLU122
|
2.4
|
9.9
|
1.0
|
|
O
|
A:HOH502
|
2.4
|
9.4
|
1.0
|
|
O
|
A:HOH483
|
2.4
|
17.4
|
1.0
|
|
OD1
|
A:ASN118
|
2.4
|
10.1
|
1.0
|
|
OE1
|
A:GLU205
|
2.7
|
11.9
|
1.0
|
|
OE1
|
A:GLU122
|
2.7
|
9.1
|
1.0
|
|
CD
|
A:GLU205
|
2.9
|
15.7
|
1.0
|
|
CD
|
A:GLU122
|
2.9
|
11.0
|
1.0
|
|
C
|
A:VAL116
|
3.5
|
12.9
|
1.0
|
|
CG
|
A:ASN118
|
3.6
|
12.2
|
1.0
|
|
OH
|
A:TYR91
|
4.2
|
9.6
|
1.0
|
|
CA
|
A:VAL116
|
4.2
|
8.3
|
1.0
|
|
N
|
A:ASN118
|
4.3
|
8.9
|
1.0
|
|
N
|
A:VAL116
|
4.3
|
11.0
|
1.0
|
|
CB
|
A:VAL116
|
4.3
|
10.6
|
1.0
|
|
O
|
A:HOH430
|
4.4
|
7.9
|
1.0
|
|
CG
|
A:GLU205
|
4.4
|
9.8
|
1.0
|
|
CG
|
A:GLU122
|
4.4
|
9.6
|
1.0
|
|
CB
|
A:ASN118
|
4.5
|
10.6
|
1.0
|
|
O
|
A:HOH431
|
4.5
|
13.1
|
1.0
|
|
N
|
A:ILE117
|
4.5
|
11.6
|
1.0
|
|
ND2
|
A:ASN118
|
4.6
|
10.1
|
1.0
|
|
CA
|
A:ILE117
|
4.7
|
10.6
|
1.0
|
|
OG
|
A:SER89
|
4.7
|
20.3
|
1.0
|
|
O
|
A:HOH437
|
4.8
|
13.8
|
1.0
|
|
CG2
|
A:VAL115
|
4.9
|
6.5
|
1.0
|
|
CG1
|
A:VAL116
|
4.9
|
8.6
|
1.0
|
|
CE2
|
A:TYR91
|
4.9
|
8.1
|
1.0
|
|
Calcium binding site 3 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 3 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca304
b:11.4
occ:1.00
|
O
|
A:HOH463
|
2.4
|
12.6
|
1.0
|
|
OD1
|
A:ASP177
|
2.4
|
11.7
|
1.0
|
|
OE1
|
A:GLU146
|
2.4
|
9.1
|
1.0
|
|
OE2
|
A:GLU146
|
2.5
|
14.3
|
1.0
|
|
O
|
A:GLU176
|
2.5
|
5.5
|
1.0
|
|
OD2
|
A:ASP142
|
2.6
|
8.1
|
1.0
|
|
OD1
|
A:ASN171
|
2.6
|
17.3
|
1.0
|
|
OD1
|
A:ASP142
|
2.7
|
10.8
|
1.0
|
|
CD
|
A:GLU146
|
2.8
|
10.8
|
1.0
|
|
CG
|
A:ASP142
|
3.0
|
8.3
|
1.0
|
|
C
|
A:GLU176
|
3.4
|
7.2
|
1.0
|
|
CG
|
A:ASN171
|
3.5
|
15.3
|
1.0
|
|
CG
|
A:ASP177
|
3.5
|
10.6
|
1.0
|
|
CA
|
A:ASP177
|
3.7
|
7.8
|
1.0
|
|
O
|
A:ACT305
|
3.8
|
9.4
|
0.5
|
|
N
|
A:ASP177
|
3.9
|
5.4
|
1.0
|
|
CB
|
A:ASP177
|
4.0
|
10.8
|
1.0
|
|
OXT
|
A:ACT305
|
4.1
|
8.2
|
0.5
|
|
CB
|
A:ASN171
|
4.2
|
11.1
|
1.0
|
|
ND2
|
A:ASN171
|
4.3
|
11.4
|
1.0
|
|
CG
|
A:GLU146
|
4.3
|
7.5
|
1.0
|
|
O
|
A:HOH402
|
4.3
|
8.9
|
0.5
|
|
C
|
A:ACT305
|
4.4
|
10.4
|
0.5
|
|
CZ2
|
A:TRP149
|
4.5
|
7.2
|
1.0
|
|
CB
|
A:ASP142
|
4.5
|
7.0
|
1.0
|
|
CA
|
A:GLU176
|
4.5
|
9.0
|
1.0
|
|
OD2
|
A:ASP177
|
4.6
|
12.5
|
1.0
|
|
O
|
A:HOH514
|
4.6
|
21.8
|
1.0
|
|
N
|
A:GLU176
|
4.6
|
8.9
|
1.0
|
|
CH2
|
A:TRP149
|
4.7
|
8.9
|
1.0
|
|
O
|
A:HOH414
|
4.7
|
7.7
|
0.5
|
|
CA
|
A:ASN171
|
4.8
|
11.3
|
1.0
|
|
OD2
|
A:ASP193
|
4.8
|
12.9
|
1.0
|
|
O
|
A:HOH407
|
4.8
|
16.4
|
1.0
|
|
O
|
A:ASP142
|
4.8
|
11.6
|
1.0
|
|
N
|
A:GLY147
|
4.9
|
9.7
|
1.0
|
|
C
|
A:ASP177
|
4.9
|
11.3
|
1.0
|
|
CA
|
A:GLU146
|
5.0
|
11.0
|
1.0
|
|
CB
|
A:GLU146
|
5.0
|
7.1
|
1.0
|
|
Calcium binding site 4 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 4 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:10.3
occ:1.00
|
OD1
|
B:ASP193
|
2.3
|
9.2
|
1.0
|
|
OE1
|
B:GLU176
|
2.4
|
9.2
|
1.0
|
|
OD1
|
B:ASN170
|
2.4
|
15.6
|
1.0
|
|
O3P
|
B:4RS301
|
2.4
|
15.6
|
1.0
|
|
O
|
B:ASP193
|
2.4
|
7.7
|
1.0
|
|
OD1
|
B:ASN192
|
2.5
|
11.3
|
1.0
|
|
O4P
|
B:4RS301
|
2.5
|
10.7
|
1.0
|
|
OE1
|
B:GLU168
|
2.5
|
13.1
|
1.0
|
|
C4P
|
B:4RS301
|
3.2
|
13.6
|
1.0
|
|
C3P
|
B:4RS301
|
3.3
|
14.9
|
1.0
|
|
CD
|
B:GLU176
|
3.3
|
12.6
|
1.0
|
|
CG
|
B:ASP193
|
3.4
|
11.3
|
1.0
|
|
CD
|
B:GLU168
|
3.4
|
23.2
|
1.0
|
|
CG
|
B:ASN170
|
3.5
|
15.3
|
1.0
|
|
CG
|
B:ASN192
|
3.5
|
14.6
|
1.0
|
|
C
|
B:ASP193
|
3.5
|
11.1
|
1.0
|
|
OE2
|
B:GLU176
|
3.6
|
4.6
|
1.0
|
|
N
|
B:ASP193
|
3.7
|
9.7
|
1.0
|
|
OE2
|
B:GLU168
|
3.7
|
13.7
|
1.0
|
|
ND2
|
B:ASN192
|
3.9
|
10.7
|
1.0
|
|
ND2
|
B:ASN170
|
4.0
|
11.9
|
1.0
|
|
CA
|
B:ASP193
|
4.0
|
7.9
|
1.0
|
|
OD2
|
B:ASP193
|
4.1
|
6.2
|
1.0
|
|
N
|
B:ASN170
|
4.2
|
10.7
|
1.0
|
|
CB
|
B:ASP193
|
4.3
|
8.1
|
1.0
|
|
CG
|
B:GLU176
|
4.6
|
8.5
|
1.0
|
|
C2P
|
B:4RS301
|
4.6
|
23.5
|
1.0
|
|
CG
|
B:GLU168
|
4.7
|
15.8
|
1.0
|
|
C5P
|
B:4RS301
|
4.7
|
14.0
|
1.0
|
|
N
|
B:VAL194
|
4.7
|
8.1
|
1.0
|
|
CB
|
B:ASN170
|
4.7
|
9.2
|
1.0
|
|
CB
|
B:GLU176
|
4.7
|
9.7
|
1.0
|
|
C
|
B:ASN192
|
4.8
|
10.2
|
1.0
|
|
CB
|
B:ASN192
|
4.8
|
5.4
|
1.0
|
|
CB
|
B:LEU172
|
4.8
|
15.5
|
1.0
|
|
N
|
B:ASN171
|
4.8
|
9.0
|
1.0
|
|
CA
|
B:ASN170
|
4.8
|
11.3
|
1.0
|
|
N
|
B:LEU172
|
4.9
|
9.7
|
1.0
|
|
CA
|
B:ASN192
|
5.0
|
8.8
|
1.0
|
|
Calcium binding site 5 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 5 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca303
b:7.9
occ:1.00
|
O
|
B:VAL116
|
2.3
|
9.4
|
1.0
|
|
O
|
B:HOH484
|
2.4
|
10.4
|
1.0
|
|
OE2
|
B:GLU205
|
2.4
|
12.8
|
1.0
|
|
OD1
|
B:ASN118
|
2.4
|
7.3
|
1.0
|
|
OE2
|
B:GLU122
|
2.4
|
6.0
|
1.0
|
|
O
|
B:HOH492
|
2.4
|
7.7
|
1.0
|
|
OE1
|
B:GLU205
|
2.6
|
9.6
|
1.0
|
|
OE1
|
B:GLU122
|
2.7
|
7.4
|
1.0
|
|
CD
|
B:GLU205
|
2.8
|
12.2
|
1.0
|
|
CD
|
B:GLU122
|
2.9
|
9.9
|
1.0
|
|
C
|
B:VAL116
|
3.5
|
11.1
|
1.0
|
|
CG
|
B:ASN118
|
3.6
|
9.9
|
1.0
|
|
OH
|
B:TYR91
|
4.2
|
8.7
|
1.0
|
|
N
|
B:ASN118
|
4.2
|
12.3
|
1.0
|
|
CA
|
B:VAL116
|
4.3
|
8.6
|
1.0
|
|
N
|
B:VAL116
|
4.3
|
8.3
|
1.0
|
|
O
|
B:HOH520
|
4.4
|
29.6
|
1.0
|
|
CG
|
B:GLU205
|
4.4
|
8.9
|
1.0
|
|
CB
|
B:VAL116
|
4.4
|
9.9
|
1.0
|
|
O
|
B:HOH440
|
4.4
|
12.7
|
1.0
|
|
CB
|
B:ASN118
|
4.4
|
7.4
|
1.0
|
|
CG
|
B:GLU122
|
4.5
|
7.4
|
1.0
|
|
N
|
B:ILE117
|
4.5
|
10.3
|
1.0
|
|
O
|
B:HOH438
|
4.6
|
15.3
|
1.0
|
|
CA
|
B:ILE117
|
4.6
|
12.9
|
1.0
|
|
ND2
|
B:ASN118
|
4.6
|
9.6
|
1.0
|
|
O
|
B:HOH443
|
4.7
|
10.2
|
1.0
|
|
OG
|
B:SER89
|
4.8
|
16.9
|
1.0
|
|
CG2
|
B:VAL115
|
4.9
|
4.8
|
1.0
|
|
CG1
|
B:VAL116
|
4.9
|
9.0
|
1.0
|
|
C
|
B:ILE117
|
4.9
|
15.2
|
1.0
|
|
CA
|
B:ASN118
|
5.0
|
10.9
|
1.0
|
|
Calcium binding site 6 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 6 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca304
b:10.4
occ:1.00
|
OD1
|
B:ASP177
|
2.4
|
12.2
|
1.0
|
|
O
|
B:GLU176
|
2.4
|
8.4
|
1.0
|
|
OE1
|
B:GLU146
|
2.4
|
10.2
|
1.0
|
|
O
|
B:HOH433
|
2.5
|
8.0
|
1.0
|
|
OD1
|
B:ASN171
|
2.5
|
15.9
|
1.0
|
|
OE2
|
B:GLU146
|
2.5
|
7.9
|
1.0
|
|
OD1
|
B:ASP142
|
2.6
|
11.2
|
1.0
|
|
OD2
|
B:ASP142
|
2.6
|
9.6
|
1.0
|
|
CD
|
B:GLU146
|
2.8
|
11.4
|
1.0
|
|
CG
|
B:ASP142
|
3.0
|
9.2
|
1.0
|
|
C
|
B:GLU176
|
3.3
|
9.3
|
1.0
|
|
CG
|
B:ASN171
|
3.5
|
17.1
|
1.0
|
|
CG
|
B:ASP177
|
3.6
|
14.2
|
1.0
|
|
CA
|
B:ASP177
|
3.7
|
7.6
|
1.0
|
|
N
|
B:ASP177
|
3.9
|
7.2
|
1.0
|
|
O
|
B:HOH401
|
4.1
|
10.5
|
0.5
|
|
CB
|
B:ASP177
|
4.1
|
9.6
|
1.0
|
|
CB
|
B:ASN171
|
4.3
|
6.4
|
1.0
|
|
ND2
|
B:ASN171
|
4.3
|
15.8
|
1.0
|
|
CG
|
B:GLU146
|
4.3
|
6.1
|
1.0
|
|
CA
|
B:GLU176
|
4.5
|
8.3
|
1.0
|
|
CZ2
|
B:TRP149
|
4.5
|
11.5
|
1.0
|
|
N
|
B:GLU176
|
4.5
|
8.5
|
1.0
|
|
CB
|
B:ASP142
|
4.5
|
9.0
|
1.0
|
|
OD2
|
B:ASP177
|
4.6
|
14.5
|
1.0
|
|
O
|
B:HOH423
|
4.6
|
26.3
|
1.0
|
|
O
|
B:HOH446
|
4.6
|
6.5
|
0.5
|
|
O
|
B:ASP142
|
4.7
|
9.2
|
1.0
|
|
CA
|
B:ASN171
|
4.7
|
14.1
|
1.0
|
|
CH2
|
B:TRP149
|
4.7
|
10.5
|
1.0
|
|
OD2
|
B:ASP193
|
4.7
|
6.2
|
1.0
|
|
N
|
B:GLY147
|
4.9
|
11.6
|
1.0
|
|
CA
|
B:GLU146
|
4.9
|
7.2
|
1.0
|
|
O
|
B:HOH416
|
4.9
|
21.3
|
1.0
|
|
C
|
B:ASP177
|
5.0
|
11.7
|
1.0
|
|
CB
|
B:GLU146
|
5.0
|
10.1
|
1.0
|
|
Calcium binding site 7 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 7 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca303
b:15.2
occ:1.00
|
OE1
|
C:GLU176
|
2.3
|
15.6
|
1.0
|
|
OD1
|
C:ASN192
|
2.4
|
9.2
|
1.0
|
|
OD1
|
C:ASN170
|
2.5
|
18.5
|
1.0
|
|
OD1
|
C:ASP193
|
2.5
|
11.7
|
1.0
|
|
O
|
C:ASP193
|
2.5
|
16.9
|
1.0
|
|
O4P
|
C:4RS302
|
2.5
|
13.6
|
1.0
|
|
O3P
|
C:4RS302
|
2.5
|
17.3
|
1.0
|
|
OE1
|
C:GLU168
|
2.7
|
15.4
|
1.0
|
|
C3P
|
C:4RS302
|
3.2
|
17.2
|
1.0
|
|
CD
|
C:GLU176
|
3.3
|
19.6
|
1.0
|
|
CG
|
C:ASN192
|
3.3
|
15.2
|
1.0
|
|
C4P
|
C:4RS302
|
3.3
|
17.9
|
1.0
|
|
CG
|
C:ASP193
|
3.4
|
12.4
|
1.0
|
|
CG
|
C:ASN170
|
3.5
|
21.9
|
1.0
|
|
CD
|
C:GLU168
|
3.5
|
13.9
|
1.0
|
|
C
|
C:ASP193
|
3.6
|
15.3
|
1.0
|
|
OE2
|
C:GLU176
|
3.7
|
18.1
|
1.0
|
|
ND2
|
C:ASN192
|
3.7
|
15.1
|
1.0
|
|
N
|
C:ASP193
|
3.7
|
11.7
|
1.0
|
|
OE2
|
C:GLU168
|
3.8
|
21.2
|
1.0
|
|
ND2
|
C:ASN170
|
3.9
|
15.8
|
1.0
|
|
CA
|
C:ASP193
|
4.0
|
13.6
|
1.0
|
|
OD2
|
C:ASP193
|
4.1
|
11.8
|
1.0
|
|
N
|
C:ASN170
|
4.3
|
14.2
|
1.0
|
|
CB
|
C:ASP193
|
4.3
|
11.1
|
1.0
|
|
CG
|
C:GLU176
|
4.6
|
12.1
|
1.0
|
|
CB
|
C:ASN192
|
4.7
|
8.3
|
1.0
|
|
C2P
|
C:4RS302
|
4.7
|
13.0
|
1.0
|
|
C5P
|
C:4RS302
|
4.7
|
14.4
|
1.0
|
|
CB
|
C:GLU176
|
4.7
|
17.3
|
1.0
|
|
C
|
C:ASN192
|
4.7
|
14.2
|
1.0
|
|
N
|
C:VAL194
|
4.7
|
12.6
|
1.0
|
|
CB
|
C:ASN170
|
4.8
|
13.6
|
1.0
|
|
CG
|
C:GLU168
|
4.8
|
13.3
|
1.0
|
|
N
|
C:ASN171
|
4.8
|
12.0
|
1.0
|
|
CA
|
C:ASN192
|
4.9
|
11.7
|
1.0
|
|
CA
|
C:ASN170
|
4.9
|
9.3
|
1.0
|
|
Calcium binding site 8 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 8 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca304
b:7.3
occ:1.00
|
O
|
C:VAL116
|
2.3
|
10.1
|
1.0
|
|
O
|
C:HOH459
|
2.3
|
8.4
|
1.0
|
|
O
|
C:HOH429
|
2.3
|
6.2
|
1.0
|
|
OE2
|
C:GLU122
|
2.4
|
14.6
|
1.0
|
|
OD1
|
C:ASN118
|
2.4
|
9.8
|
1.0
|
|
OE2
|
C:GLU205
|
2.4
|
9.2
|
1.0
|
|
OE1
|
C:GLU205
|
2.6
|
6.7
|
1.0
|
|
OE1
|
C:GLU122
|
2.7
|
11.5
|
1.0
|
|
CD
|
C:GLU205
|
2.9
|
8.3
|
1.0
|
|
CD
|
C:GLU122
|
2.9
|
14.1
|
1.0
|
|
C
|
C:VAL116
|
3.5
|
12.5
|
1.0
|
|
CG
|
C:ASN118
|
3.6
|
15.1
|
1.0
|
|
N
|
C:ASN118
|
4.2
|
10.1
|
1.0
|
|
CA
|
C:VAL116
|
4.3
|
6.8
|
1.0
|
|
CB
|
C:ASN118
|
4.3
|
11.2
|
1.0
|
|
CB
|
C:VAL116
|
4.3
|
6.5
|
1.0
|
|
N
|
C:VAL116
|
4.3
|
7.6
|
1.0
|
|
CG
|
C:GLU205
|
4.4
|
9.1
|
1.0
|
|
CG
|
C:GLU122
|
4.4
|
15.5
|
1.0
|
|
OH
|
C:TYR91
|
4.4
|
14.5
|
1.0
|
|
N
|
C:ILE117
|
4.4
|
8.9
|
1.0
|
|
O
|
C:HOH434
|
4.5
|
19.3
|
1.0
|
|
CA
|
C:ILE117
|
4.6
|
11.1
|
1.0
|
|
O
|
C:HOH404
|
4.6
|
10.1
|
1.0
|
|
ND2
|
C:ASN118
|
4.6
|
6.7
|
1.0
|
|
CG1
|
C:VAL116
|
4.7
|
7.9
|
1.0
|
|
O
|
C:HOH437
|
4.8
|
20.6
|
1.0
|
|
OG
|
C:SER89
|
4.8
|
16.4
|
1.0
|
|
CG2
|
C:VAL115
|
4.8
|
4.6
|
1.0
|
|
CA
|
C:ASN118
|
4.9
|
13.5
|
1.0
|
|
C
|
C:ILE117
|
4.9
|
15.2
|
1.0
|
|
NE2
|
C:HIS113
|
5.0
|
12.8
|
1.0
|
|
Calcium binding site 9 out
of 9 in 4zrv
Go back to
Calcium Binding Sites List in 4zrv
Calcium binding site 9 out
of 9 in the Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Structure of Cow Mincle Crd Complexed with Trehalose Mono Butyrate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca305
b:15.2
occ:1.00
|
O
|
C:HOH430
|
2.4
|
18.5
|
1.0
|
|
OD1
|
C:ASP177
|
2.4
|
17.6
|
1.0
|
|
O
|
C:GLU176
|
2.5
|
14.8
|
1.0
|
|
OE1
|
C:GLU146
|
2.5
|
21.5
|
1.0
|
|
OE2
|
C:GLU146
|
2.5
|
21.1
|
1.0
|
|
OD1
|
C:ASN171
|
2.5
|
21.6
|
1.0
|
|
OD2
|
C:ASP142
|
2.6
|
17.6
|
1.0
|
|
OD1
|
C:ASP142
|
2.6
|
13.9
|
1.0
|
|
CD
|
C:GLU146
|
2.8
|
20.6
|
1.0
|
|
CG
|
C:ASP142
|
3.0
|
18.8
|
1.0
|
|
C
|
C:GLU176
|
3.4
|
20.1
|
1.0
|
|
CG
|
C:ASN171
|
3.5
|
21.4
|
1.0
|
|
CG
|
C:ASP177
|
3.5
|
27.6
|
1.0
|
|
CA
|
C:ASP177
|
3.7
|
18.9
|
1.0
|
|
OXT
|
C:ACT306
|
3.9
|
25.6
|
1.0
|
|
N
|
C:ASP177
|
4.0
|
16.3
|
1.0
|
|
O
|
C:HOH464
|
4.1
|
21.8
|
1.0
|
|
CB
|
C:ASP177
|
4.1
|
18.2
|
1.0
|
|
CB
|
C:ASN171
|
4.2
|
12.9
|
1.0
|
|
CZ2
|
C:TRP149
|
4.3
|
18.4
|
1.0
|
|
CG
|
C:GLU146
|
4.3
|
17.6
|
1.0
|
|
ND2
|
C:ASN171
|
4.3
|
16.1
|
1.0
|
|
O
|
C:ACT306
|
4.5
|
27.5
|
1.0
|
|
OD2
|
C:ASP177
|
4.5
|
24.9
|
1.0
|
|
CB
|
C:ASP142
|
4.5
|
16.8
|
1.0
|
|
OD2
|
C:ASP193
|
4.5
|
11.8
|
1.0
|
|
CH2
|
C:TRP149
|
4.6
|
14.4
|
1.0
|
|
CA
|
C:GLU176
|
4.6
|
15.6
|
1.0
|
|
C
|
C:ACT306
|
4.6
|
32.8
|
1.0
|
|
CA
|
C:ASN171
|
4.7
|
17.2
|
1.0
|
|
N
|
C:GLU176
|
4.7
|
15.4
|
1.0
|
|
O
|
C:HOH410
|
4.9
|
28.5
|
1.0
|
|
C
|
C:ASP177
|
4.9
|
17.6
|
1.0
|
|
O
|
C:ASP142
|
4.9
|
17.5
|
1.0
|
|
CB
|
C:GLU146
|
5.0
|
17.9
|
1.0
|
|
Reference:
H.Feinberg,
N.D.Rambaruth,
S.A.Jegouzo,
K.M.Jacobsen,
R.Djurhuus,
T.B.Poulsen,
W.I.Weis,
M.E.Taylor,
K.Drickamer.
Binding Sites For Acylated Trehalose Analogs of Glycolipid Ligands on An Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem. V. 291 21222 2016.
ISSN: ESSN 1083-351X
PubMed: 27542410
DOI: 10.1074/JBC.M116.749515
Page generated: Sun Jul 14 16:06:11 2024
|
