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Receptor
PDB id Resolution Class Description Source Keywords
1XT8 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF CYSTEINE-BINDING PROTEIN FROM CAMPYLOBA JEJUNI AT 2.0 A RESOLUTION CAMPYLOBACTER JEJUNI ABC TRANSPORT CYSTEINE UPTAKE AMINO-ACID TRANSPORTER PERIPSOLUTE-BINDING PROTEIN CAMPYLOBACTER JEJUNI SPINE STRUCTGENOMICS STRUCTURAL PROTEOMICS IN EUROPE TRANSPORT PROTEI
Ref.: AN ATP-BINDING CASSETTE-TYPE CYSTEINE TRANSPORTER I CAMPYLOBACTER JEJUNI INFERRED FROM THE STRUCTURE OF EXTRACYTOPLASMIC SOLUTE RECEPTOR PROTEIN. MOL.MICROBIOL. V. 57 143 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:401;
A:402;
Valid;
Valid;
none;
none;
Kd = 0.1 uM
121.158 C3 H7 N O2 S C([C@...
GOL B:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XT8 2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF CYSTEINE-BINDING PROTEIN FROM CAMPYLOBA JEJUNI AT 2.0 A RESOLUTION CAMPYLOBACTER JEJUNI ABC TRANSPORT CYSTEINE UPTAKE AMINO-ACID TRANSPORTER PERIPSOLUTE-BINDING PROTEIN CAMPYLOBACTER JEJUNI SPINE STRUCTGENOMICS STRUCTURAL PROTEOMICS IN EUROPE TRANSPORT PROTEI
Ref.: AN ATP-BINDING CASSETTE-TYPE CYSTEINE TRANSPORTER I CAMPYLOBACTER JEJUNI INFERRED FROM THE STRUCTURE OF EXTRACYTOPLASMIC SOLUTE RECEPTOR PROTEIN. MOL.MICROBIOL. V. 57 143 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1XT8 Kd = 0.1 uM CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1XT8 Kd = 0.1 uM CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 2YJP Kd = 21 nM CYS C3 H7 N O2 S C([C@@H](C....
2 1XT8 Kd = 0.1 uM CYS C3 H7 N O2 S C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 ASP 0.521739 0.703704
11 DAS 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 DAB 0.5 0.777778
15 HSE 0.5 0.75
16 LEU 0.48 0.692308
17 AS2 0.48 0.692308
18 API 0.48 0.62069
19 NVA 0.48 0.666667
20 CSO 0.48 0.677419
21 HL5 0.448276 0.740741
22 GLU 0.444444 0.642857
23 DGL 0.444444 0.642857
24 GGL 0.444444 0.642857
25 ORN 0.428571 0.740741
26 ALA 0.428571 0.608696
27 DAL 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 MED 0.4 0.666667
32 DLY 0.4 0.714286
33 MET 0.4 0.666667
34 11C 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XT8; Ligand: CYS; Similar sites found with APoc: 87
This union binding pocket(no: 1) in the query (biounit: 1xt8.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1FC4 AKB PLP 2.05479
2 3PPM JG1 2.05479
3 3R5Y F42 2.05479
4 2OFV 242 2.16606
5 4ZTE 4RL 2.36967
6 4NKW PLO 2.39726
7 3F5A SIA GAL NAG 2.43902
8 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 3.15789
9 6C4A PYR 3.42466
10 6CEN ACE GLY VAL NLE ARG ILE NH2 3.50877
11 3GPO APR 3.57143
12 4QLX KTC 3.65297
13 4QLX FMN 3.65297
14 4CDN FAD 3.76712
15 1JQ3 AAT 3.76712
16 5OGX FAD 3.76712
17 2O07 MTA 3.76712
18 2O07 SPD 3.76712
19 4FAJ LEU VAL THR LEU VAL PHE VAL 4.10959
20 3I6I NDP 4.10959
21 5OJ7 AR6 4.10959
22 2HSA FMN 4.10959
23 2WK9 PLP 4.11311
24 2WK9 PLG 4.11311
25 3SAO DBH 4.375
26 3ZOA ACR 4.45205
27 2I3G NAP 4.79452
28 4Z87 GDP 5.13699
29 3CV6 NAP 5.13699
30 3CV6 HXS 5.13699
31 1QF5 GDP 5.13699
32 1QF5 RPL 5.13699
33 1E4E PHY 5.13699
34 4YHB FAD 5.86081
35 4YKI GLY 6.64062
36 6EK3 OUL 6.78733
37 3KLJ FAD 7.19178
38 3JZB 4HY 7.86517
39 3VSV XYS 7.87671
40 5L3S GNP 7.87671
41 4JWX 1N4 8.57143
42 4X7G 3Y8 8.76494
43 4ZDM GLY 8.81226
44 5KJW 53C 8.90411
45 2WZM NA7 9.54064
46 1RJ9 GCP 9.58904
47 3RNM FAD 10.3448
48 4F2Q QUS 10.8527
49 5DT6 GLU 10.8614
50 4LNU GDP 10.9589
51 1CL2 PPG 10.9589
52 5CMK GLU 11.583
53 5CMK LY5 11.583
54 6H3O FAD 11.6438
55 5O4F 8VE 12.0155
56 5IKB KAI 12.4514
57 3FV1 DYH 12.5
58 1N46 PFA 13.1783
59 1M5B BN1 13.308
60 4WXJ GLU 13.3829
61 2RC8 DSN 14.0411
62 5CC2 CKA 14.3396
63 4XVX P33 FDA 14.653
64 4XVX P6G FDA 14.653
65 5WHT SIA GAL 15.942
66 5WHT SIA 15.942
67 4IO2 GLU 16.129
68 5DEX GLY 18.4932
69 5DEX 5E0 18.4932
70 1PBQ DK1 18.4932
71 3OEN GLU 18.5315
72 2RCA GLY 18.8356
73 5AA4 6X4 21.5753
74 5EHS 5OY 22.0149
75 5EHS 2JJ 22.0149
76 4C0R GDS 23.3871
77 3R5W F42 25.8929
78 6H1U ASP 29.6167
79 5EIB GTP 30.4348
80 2Y7I ARG 32.7511
81 2PYY GLU 34.2105
82 5ORG 6DB 35.3612
83 1II5 GLU 36.9099
84 4POW OP1 37.3585
85 1WDN GLN 42.0354
86 4KQP GLN 43.1034
87 1HSL HIS 44.1176
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