Chlorine in PDB 3sgh: Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution, PDB code: 3sgh
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.63 /
1.70
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.586,
173.545,
59.215,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
13.9 /
17.4
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
(pdb code 3sgh). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the
Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution, PDB code: 3sgh:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 1 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl601
b:35.3
occ:1.00
|
O
|
A:HOH1045
|
3.0
|
35.0
|
1.0
|
O
|
A:HOH1125
|
3.0
|
36.4
|
1.0
|
N
|
A:GLY121
|
3.1
|
21.7
|
1.0
|
CA
|
A:LYS120
|
3.8
|
24.3
|
1.0
|
CB
|
A:LYS120
|
3.9
|
25.4
|
1.0
|
C
|
A:LYS120
|
3.9
|
22.1
|
1.0
|
CA
|
A:GLY121
|
4.0
|
20.9
|
1.0
|
CG1
|
A:ILE179
|
4.0
|
20.5
|
1.0
|
CG
|
A:LYS120
|
4.2
|
31.9
|
1.0
|
CD1
|
A:ILE179
|
4.2
|
21.5
|
1.0
|
CG2
|
A:ILE179
|
4.7
|
19.2
|
1.0
|
C
|
A:GLY121
|
4.9
|
20.2
|
1.0
|
CB
|
A:ILE179
|
5.0
|
20.6
|
1.0
|
|
Chlorine binding site 2 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 2 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl603
b:28.7
occ:1.00
|
OE1
|
A:GLU227
|
2.7
|
25.5
|
0.5
|
N
|
A:TYR228
|
3.3
|
18.4
|
1.0
|
N
|
A:GLU227
|
3.3
|
18.3
|
1.0
|
C
|
A:GLU225
|
3.4
|
17.3
|
1.0
|
CA
|
A:GLU225
|
3.4
|
17.0
|
1.0
|
CB
|
A:GLU227
|
3.5
|
19.4
|
0.5
|
CB
|
A:GLU225
|
3.6
|
17.0
|
1.0
|
N
|
A:PRO226
|
3.7
|
17.6
|
1.0
|
CD
|
A:GLU227
|
3.7
|
24.5
|
0.5
|
CA
|
A:GLU227
|
3.8
|
18.9
|
0.5
|
O
|
A:GLU225
|
3.8
|
18.1
|
1.0
|
CA
|
A:GLU227
|
3.9
|
18.8
|
0.5
|
CB
|
A:GLU227
|
4.0
|
19.1
|
0.5
|
CB
|
A:TYR228
|
4.0
|
18.3
|
1.0
|
C
|
A:GLU227
|
4.1
|
17.4
|
1.0
|
CG
|
A:GLU227
|
4.1
|
22.4
|
0.5
|
CG
|
A:GLU225
|
4.1
|
19.1
|
1.0
|
CD
|
A:PRO226
|
4.2
|
18.3
|
1.0
|
CA
|
A:TYR228
|
4.3
|
18.5
|
1.0
|
C
|
A:PRO226
|
4.3
|
18.7
|
1.0
|
CA
|
A:PRO226
|
4.5
|
18.0
|
1.0
|
CD
|
A:GLU225
|
4.7
|
21.1
|
1.0
|
CG
|
A:GLU227
|
4.7
|
23.0
|
0.5
|
O
|
A:HOH1945
|
4.8
|
44.3
|
1.0
|
OE2
|
A:GLU227
|
4.8
|
29.3
|
0.5
|
N
|
A:GLU225
|
4.8
|
16.5
|
1.0
|
CG
|
A:PRO226
|
5.0
|
19.4
|
1.0
|
O
|
A:HOH1670
|
5.0
|
38.6
|
1.0
|
|
Chlorine binding site 3 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 3 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl606
b:22.9
occ:1.00
|
O
|
A:HOH1564
|
2.9
|
31.7
|
1.0
|
O
|
A:HOH1300
|
3.1
|
45.3
|
1.0
|
N
|
A:ASN507
|
3.2
|
15.8
|
1.0
|
ND2
|
A:ASN467
|
3.3
|
19.4
|
1.0
|
CG
|
A:ASN507
|
3.6
|
13.9
|
1.0
|
CD
|
A:ARG480
|
3.7
|
17.3
|
1.0
|
OD1
|
A:ASN507
|
3.7
|
17.6
|
1.0
|
CB
|
A:ASN507
|
3.8
|
14.9
|
1.0
|
CA
|
A:SER506
|
3.9
|
17.2
|
1.0
|
OG
|
A:SER506
|
3.9
|
19.1
|
1.0
|
NE
|
A:ARG480
|
3.9
|
22.6
|
1.0
|
C
|
A:SER506
|
4.0
|
16.1
|
1.0
|
ND2
|
A:ASN507
|
4.1
|
15.3
|
1.0
|
OD1
|
A:ASN467
|
4.1
|
24.8
|
1.0
|
CG
|
A:ASN467
|
4.1
|
21.4
|
1.0
|
CA
|
A:ASN507
|
4.1
|
14.9
|
1.0
|
CB
|
A:SER506
|
4.3
|
18.4
|
1.0
|
OD2
|
A:ASP469
|
4.4
|
27.5
|
1.0
|
O
|
A:HOH1590
|
4.4
|
45.8
|
1.0
|
O
|
A:HOH1234
|
4.6
|
33.2
|
1.0
|
CG
|
A:ARG480
|
4.7
|
17.1
|
1.0
|
O
|
A:ASP505
|
4.8
|
19.3
|
1.0
|
O
|
A:HOH961
|
4.9
|
18.5
|
1.0
|
CZ
|
A:ARG480
|
5.0
|
24.4
|
1.0
|
|
Chlorine binding site 4 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 4 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl608
b:30.2
occ:1.00
|
O
|
A:HOH1402
|
3.0
|
42.3
|
1.0
|
N
|
B:ASN77
|
3.1
|
16.8
|
1.0
|
O
|
B:HOH1069
|
3.2
|
26.4
|
1.0
|
NH1
|
A:ARG483
|
3.2
|
43.0
|
1.0
|
NH2
|
A:ARG483
|
3.3
|
42.2
|
1.0
|
N
|
B:TRP78
|
3.4
|
17.6
|
1.0
|
CD
|
B:PRO317
|
3.6
|
19.2
|
1.0
|
CB
|
B:ALA76
|
3.6
|
18.6
|
1.0
|
CA
|
B:ALA76
|
3.6
|
17.4
|
1.0
|
CZ
|
A:ARG483
|
3.7
|
42.0
|
1.0
|
CG
|
B:PRO317
|
3.7
|
20.5
|
1.0
|
ND2
|
B:ASN77
|
3.9
|
19.6
|
1.0
|
C
|
B:ALA76
|
3.9
|
17.7
|
1.0
|
CA
|
B:ASN77
|
4.1
|
17.7
|
1.0
|
C
|
B:ASN77
|
4.2
|
17.2
|
1.0
|
CA
|
B:TRP78
|
4.2
|
17.9
|
1.0
|
CG
|
B:ASN77
|
4.4
|
21.2
|
1.0
|
OE1
|
B:GLU316
|
4.7
|
31.9
|
1.0
|
N
|
B:SER79
|
4.8
|
17.3
|
1.0
|
CB
|
B:ASN77
|
4.8
|
19.0
|
1.0
|
O
|
B:PRO315
|
4.9
|
19.2
|
1.0
|
NE
|
A:ARG483
|
5.0
|
39.4
|
1.0
|
|
Chlorine binding site 5 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 5 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl609
b:25.8
occ:1.00
|
O
|
B:HOH1672
|
2.8
|
40.7
|
1.0
|
O
|
A:HOH814
|
3.0
|
29.3
|
1.0
|
NH1
|
B:ARG483
|
3.1
|
42.9
|
1.0
|
N
|
A:ASN77
|
3.2
|
16.6
|
1.0
|
NH2
|
B:ARG483
|
3.2
|
39.7
|
1.0
|
N
|
A:TRP78
|
3.5
|
16.8
|
1.0
|
CZ
|
B:ARG483
|
3.5
|
40.5
|
1.0
|
CD
|
A:PRO317
|
3.6
|
16.9
|
1.0
|
CA
|
A:ALA76
|
3.7
|
16.7
|
1.0
|
CB
|
A:ALA76
|
3.7
|
18.0
|
1.0
|
CG
|
A:PRO317
|
3.8
|
18.8
|
1.0
|
ND2
|
A:ASN77
|
3.8
|
20.0
|
1.0
|
C
|
A:ALA76
|
3.9
|
16.7
|
1.0
|
CA
|
A:ASN77
|
4.2
|
16.8
|
1.0
|
C
|
A:ASN77
|
4.3
|
15.9
|
1.0
|
CA
|
A:TRP78
|
4.3
|
16.6
|
1.0
|
CG
|
A:ASN77
|
4.4
|
19.2
|
1.0
|
OE1
|
A:GLU316
|
4.7
|
30.3
|
1.0
|
CB
|
A:ASN77
|
4.8
|
17.4
|
1.0
|
N
|
A:SER79
|
4.8
|
18.5
|
1.0
|
NE
|
B:ARG483
|
4.8
|
37.2
|
1.0
|
O
|
A:PRO315
|
5.0
|
16.5
|
1.0
|
|
Chlorine binding site 6 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 6 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl614
b:42.7
occ:1.00
|
N
|
A:GLN190
|
3.0
|
22.1
|
1.0
|
O
|
A:HOH1236
|
3.0
|
35.0
|
1.0
|
CG
|
A:GLN190
|
3.7
|
24.9
|
1.0
|
CB
|
A:GLN190
|
3.7
|
23.7
|
1.0
|
CA
|
A:ASN189
|
3.8
|
22.1
|
1.0
|
C
|
A:ASN189
|
3.9
|
21.5
|
1.0
|
CA
|
A:GLN190
|
3.9
|
22.9
|
1.0
|
O
|
A:HOH1587
|
3.9
|
36.4
|
1.0
|
ND2
|
A:ASN189
|
4.0
|
25.1
|
1.0
|
O
|
A:VAL188
|
4.1
|
24.9
|
1.0
|
CG
|
A:ASN189
|
4.2
|
24.1
|
1.0
|
O
|
A:HOH1296
|
4.4
|
27.5
|
1.0
|
N
|
A:ASP191
|
4.5
|
23.2
|
1.0
|
CB
|
A:ASN189
|
4.6
|
21.1
|
1.0
|
OD1
|
A:ASN189
|
4.6
|
24.1
|
1.0
|
O
|
A:HOH968
|
4.7
|
28.3
|
1.0
|
O
|
A:HOH1381
|
4.7
|
38.8
|
1.0
|
C
|
A:GLN190
|
4.8
|
23.4
|
1.0
|
N
|
A:ASN189
|
4.8
|
22.4
|
1.0
|
CD
|
A:GLN190
|
4.9
|
27.3
|
1.0
|
C
|
A:VAL188
|
4.9
|
24.1
|
1.0
|
NE2
|
A:GLN190
|
5.0
|
26.8
|
1.0
|
|
Chlorine binding site 7 out
of 20 in 3sgh
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Chlorine Binding Sites List in 3sgh
Chlorine binding site 7 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl615
b:28.2
occ:1.00
|
O
|
B:HOH1360
|
2.6
|
38.3
|
1.0
|
ND2
|
A:ASN56
|
3.1
|
19.1
|
1.0
|
O
|
B:HOH1169
|
3.1
|
26.2
|
1.0
|
ND2
|
B:ASN488
|
3.1
|
18.7
|
1.0
|
NE2
|
A:GLN55
|
3.3
|
18.9
|
1.0
|
OG
|
B:SER484
|
3.4
|
20.5
|
0.5
|
O
|
B:HOH1563
|
3.6
|
39.1
|
1.0
|
CZ2
|
A:TRP268
|
3.7
|
18.1
|
1.0
|
CH2
|
A:TRP268
|
3.9
|
19.1
|
1.0
|
O
|
A:HOH1280
|
4.0
|
34.6
|
1.0
|
CB
|
B:SER484
|
4.0
|
17.9
|
0.5
|
CG
|
A:ASN56
|
4.0
|
18.1
|
1.0
|
OD1
|
A:ASN56
|
4.0
|
18.6
|
1.0
|
CB
|
B:SER484
|
4.1
|
17.0
|
0.5
|
CD
|
A:GLN55
|
4.3
|
19.4
|
1.0
|
CG
|
B:ASN488
|
4.3
|
18.4
|
1.0
|
CG
|
A:GLN55
|
4.4
|
17.0
|
1.0
|
CA
|
B:SER484
|
4.5
|
18.2
|
0.5
|
CA
|
B:SER484
|
4.5
|
17.4
|
0.5
|
O
|
B:HOH1786
|
4.6
|
42.9
|
1.0
|
CE2
|
A:TRP268
|
4.7
|
12.8
|
1.0
|
OD1
|
B:ASN488
|
4.8
|
16.9
|
1.0
|
O
|
B:HOH1190
|
4.8
|
31.8
|
1.0
|
|
Chlorine binding site 8 out
of 20 in 3sgh
Go back to
Chlorine Binding Sites List in 3sgh
Chlorine binding site 8 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl618
b:41.4
occ:1.00
|
N
|
A:GLY153
|
3.5
|
44.8
|
1.0
|
CD2
|
A:PHE111
|
3.7
|
28.9
|
1.0
|
CB
|
A:TYR107
|
3.8
|
21.4
|
1.0
|
CA
|
A:PRO108
|
3.8
|
22.6
|
1.0
|
CB
|
A:PRO108
|
3.9
|
23.4
|
1.0
|
CE2
|
A:PHE111
|
4.0
|
27.8
|
1.0
|
CA
|
A:GLY153
|
4.1
|
45.5
|
1.0
|
CE
|
A:MSE150
|
4.3
|
29.1
|
0.4
|
CD1
|
A:TYR107
|
4.4
|
21.9
|
1.0
|
CG
|
A:TYR107
|
4.4
|
20.9
|
1.0
|
N
|
A:PRO108
|
4.4
|
22.4
|
1.0
|
C
|
A:ALA152
|
4.5
|
43.1
|
1.0
|
CA
|
A:ALA152
|
4.6
|
41.5
|
1.0
|
CA
|
A:TYR107
|
4.7
|
20.5
|
1.0
|
O
|
A:LYS151
|
4.7
|
37.3
|
1.0
|
C
|
A:TYR107
|
4.8
|
21.6
|
1.0
|
C
|
A:GLY153
|
4.9
|
46.2
|
1.0
|
CG
|
A:PHE111
|
4.9
|
25.8
|
1.0
|
|
Chlorine binding site 9 out
of 20 in 3sgh
Go back to
Chlorine Binding Sites List in 3sgh
Chlorine binding site 9 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl619
b:41.4
occ:1.00
|
N
|
A:LYS332
|
3.2
|
19.8
|
1.0
|
O
|
A:HOH1188
|
3.4
|
34.7
|
1.0
|
O
|
A:HOH1406
|
3.4
|
40.1
|
1.0
|
O
|
A:HOH965
|
3.6
|
30.0
|
1.0
|
CG
|
A:LYS332
|
3.6
|
24.9
|
1.0
|
CA
|
A:ASP331
|
3.7
|
20.1
|
1.0
|
CB
|
A:LYS332
|
3.8
|
21.0
|
1.0
|
CD
|
A:LYS332
|
4.0
|
30.7
|
1.0
|
C
|
A:ASP331
|
4.0
|
19.0
|
1.0
|
O
|
A:THR330
|
4.0
|
20.0
|
1.0
|
CA
|
A:LYS332
|
4.1
|
19.9
|
1.0
|
N
|
A:ASP331
|
4.4
|
19.3
|
1.0
|
C
|
A:THR330
|
4.4
|
19.1
|
1.0
|
CE
|
A:LYS332
|
4.6
|
33.5
|
1.0
|
OD1
|
A:ASP331
|
4.6
|
25.9
|
1.0
|
O
|
A:HOH1658
|
4.9
|
39.2
|
1.0
|
CB
|
A:ASP331
|
4.9
|
20.9
|
1.0
|
O
|
A:HOH1953
|
5.0
|
42.1
|
1.0
|
|
Chlorine binding site 10 out
of 20 in 3sgh
Go back to
Chlorine Binding Sites List in 3sgh
Chlorine binding site 10 out
of 20 in the Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of A Susd-Like Protein (BT_3752) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl600
b:41.0
occ:1.00
|
N
|
B:GLY121
|
3.1
|
25.6
|
1.0
|
O
|
B:HOH1459
|
3.2
|
36.9
|
1.0
|
CA
|
B:LYS120
|
3.7
|
28.4
|
1.0
|
CB
|
B:LYS120
|
3.8
|
30.0
|
1.0
|
C
|
B:LYS120
|
3.9
|
26.8
|
1.0
|
CG1
|
B:ILE179
|
4.0
|
21.0
|
1.0
|
CA
|
B:GLY121
|
4.0
|
24.4
|
1.0
|
CD1
|
B:ILE179
|
4.1
|
22.7
|
1.0
|
CG
|
B:LYS120
|
4.4
|
34.2
|
1.0
|
CG2
|
B:ILE179
|
4.7
|
20.2
|
1.0
|
CB
|
B:ILE179
|
4.9
|
20.9
|
1.0
|
C
|
B:GLY121
|
4.9
|
23.5
|
1.0
|
O
|
B:HOH1199
|
5.0
|
29.7
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sun Jul 21 04:29:25 2024
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