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 199 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 166 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 141 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: 33
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 DAS 0.521739 0.703704
11 ASP 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 LEU 0.48 0.692308
19 CSO 0.48 0.677419
20 NVA 0.48 0.666667
21 GLU 0.444444 0.642857
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 DAL 0.428571 0.608696
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 NLE 0.413793 0.62069
28 3GC 0.405405 0.647059
29 DLY 0.4 0.714286
30 MED 0.4 0.666667
31 UN1 0.4 0.62069
32 11C 0.4 0.62069
33 MET 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XT8; Ligand: CYS; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 1xt8.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R5Y F42 0.03271 0.4039 2.05479
2 4ZTE 4RL 0.001847 0.46101 2.36967
3 4NKW PLO 0.01832 0.40492 2.39726
4 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.04769 0.4008 3.15789
5 2WK9 PLP 0.0174 0.4231 4.11311
6 2WK9 PLG 0.02241 0.41936 4.11311
7 3ZOA ACR 0.005496 0.40159 4.45205
8 3CV6 NAP 0.02954 0.4204 5.13699
9 3CV6 HXS 0.03066 0.4204 5.13699
10 4YHB FAD 0.01182 0.43009 5.86081
11 4YKI GLY 0.0001495 0.49381 6.64062
12 4JWX 1N4 0.00006642 0.49776 8.57143
13 5KJW 53C 0.00971 0.40749 8.90411
14 5DT6 GLU 0.0004717 0.46954 10.8614
15 5O4F 8VE 0.000231 0.43413 12.0155
16 5IKB KAI 0.0003715 0.48605 12.4514
17 1N46 PFA 0.02589 0.41046 13.1783
18 4WXJ GLU 0.00007933 0.49402 13.3829
19 2RC8 DSN 0.000001482 0.59848 14.0411
20 4IO2 GLU 0.00003338 0.54245 16.129
21 5DEX GLY 0.00006784 0.51019 18.4932
22 5DEX 5E0 0.001601 0.47382 18.4932
23 1PBQ DK1 0.00673 0.41536 18.4932
24 3OEN GLU 0.0001103 0.46622 18.5315
25 2RCA GLY 0.000001404 0.55028 18.8356
26 4C0R GDS 0.0002912 0.51133 23.3871
27 2Y7I ARG 0.00004959 0.47858 32.7511
28 2PYY GLU 0.0000005688 0.62192 34.2105
29 2Q2A ARG 0.000003591 0.58886 34.5588
30 1II5 GLU 0.0000001033 0.64995 36.9099
31 4POW OP1 0.0001451 0.40265 37.3585
32 1WDN GLN 0.000001374 0.55872 42.0354
33 4KQP GLN 0.000006283 0.5618 43.1034
34 1HSL HIS 0.00001336 0.5457 44.1176
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