Receptor
PDB id Resolution Class Description Source Keywords
4OEV 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF NIKZ FROM CAMPYLOBACTER JEJUNI IN COMPL NI(II) ION CAMPYLOBACTER JEJUNI EXTRACYTOPLASMIC NICKEL IMPORT METAL TRANSPORT ABC-TYPE IEXTRACYTOPLASMIC NICKEL-BINDING PROTEIN TRANSPORT PROTEIN
Ref.: PROMISCUOUS NICKEL IMPORT IN HUMAN PATHOGENS: STRUC THERMODYNAMICS, AND EVOLUTION OF EXTRACYTOPLASMIC NICKEL-BINDING PROTEINS. STRUCTURE V. 22 1421 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OXL B:502;
A:502;
Valid;
Valid;
none;
none;
submit data
88.019 C2 O4 C(=O)...
GOL B:503;
B:505;
B:506;
A:503;
B:504;
A:504;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NI A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OEV 1.9 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF NIKZ FROM CAMPYLOBACTER JEJUNI IN COMPL NI(II) ION CAMPYLOBACTER JEJUNI EXTRACYTOPLASMIC NICKEL IMPORT METAL TRANSPORT ABC-TYPE IEXTRACYTOPLASMIC NICKEL-BINDING PROTEIN TRANSPORT PROTEIN
Ref.: PROMISCUOUS NICKEL IMPORT IN HUMAN PATHOGENS: STRUC THERMODYNAMICS, AND EVOLUTION OF EXTRACYTOPLASMIC NICKEL-BINDING PROTEINS. STRUCTURE V. 22 1421 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 4OEV - OXL C2 O4 C(=O)(C(=O....
2 4OEU - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1XOC - VAL ASP SER LYS ASN THR SER SER TRP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OEV; Ligand: OXL; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 4oev.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AZT GSP 0.02994 0.4087 1.49254
2 3QOX SAH 0.02397 0.40908 1.87793
3 1NLU IVA PHI TYB 0.001917 0.44908 1.89189
4 1PFK FBP 0.008074 0.41704 2.1875
5 3PTG 932 0.01305 0.40505 2.20386
6 3OJF IMJ 0.03345 0.42014 2.33463
7 1V35 NAI 0.01133 0.44766 2.43161
8 4OXI GAP 0.02845 0.40283 2.63158
9 1PT2 SUC 0.01519 0.40496 2.68456
10 4P7X YCP 0.004356 0.438 2.73973
11 4P7X AKG 0.004356 0.438 2.73973
12 5LRT ADP 0.03805 0.4011 2.83401
13 5C5H 4YB 0.03844 0.40259 3.09051
14 1PNF NDG NAG 0.007497 0.40224 3.18471
15 2PD4 NAD 0.01168 0.44012 3.27273
16 2PD4 DCN 0.01503 0.43396 3.27273
17 2EW5 Y12 0.02395 0.40466 3.31492
18 1NNU TCT 0.03922 0.43805 3.49345
19 1NNU NAD 0.03852 0.43805 3.49345
20 5N9X 8QN 0.007325 0.4355 3.64372
21 5N9X ATP 0.03014 0.40131 3.64372
22 3OIG NAD 0.008141 0.44052 3.7594
23 4PYW ACE THR THR ALA ILE NH2 0.0175 0.41437 3.9604
24 1UJ2 C5P 0.03858 0.40058 3.96825
25 4D57 ARG AMP 0.04443 0.4086 4.25101
26 5FLJ QUE 0.02847 0.40245 4.30108
27 4EAY CS2 0.02089 0.40354 4.34783
28 5AA4 6X4 0.02672 0.41364 4.43459
29 2GBB CIT 0.01179 0.40622 6.41026
30 5KOD AMP 0.01835 0.40268 6.88259
31 2W90 6PG 0.02721 0.40768 7.00637
32 4Q9N NAI 0.01752 0.42663 7.38255
33 1MV8 NAD 0.0377 0.40337 7.56881
34 2PT9 2MH 0.04775 0.40544 8.09969
35 4B2G V1N 0.01294 0.42023 10.3239
36 5CG1 NAD BBN 0.03104 0.43488 10.8197
37 5MZY 8EZ 0.04099 0.40254 10.8871
38 1QG6 TCL 0.007006 0.46072 12.6437
39 1QG6 NAD 0.007006 0.46072 12.6437
40 4XT2 43L 0.03223 0.4 17.094
41 2P6W FLC 0.007297 0.42218 20.1878
42 3SJH LAR 0.03716 0.40601 20.3704
43 2D0V PQQ 0.02909 0.4009 25
44 5NTW 98N 0.01203 0.43233 35
45 5G5W R8C 0.03694 0.40385 42.8571
Pocket No.: 2; Query (leader) PDB : 4OEV; Ligand: OXL; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 4oev.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5F1X ATP 0.01917 0.42295 2.5
2 5TUK FAD 0.03217 0.41025 3.43137
3 1KOJ PAN 0.01636 0.41324 3.64372
4 3GGU 017 0.01556 0.42444 7.07071
5 3JQ8 DX3 0.0127 0.40001 7.63889
6 2HW1 ANP 0.0275 0.40322 8.38926
7 2DYR PEK 0.02221 0.4192 18.6441
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