Structure of PDB 8pa5 Chain A Binding Site BS03

Receptor Information
>8pa5 Chain A (length=233) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGD
ELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRA
AGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAA
HSTDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQK
HYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKN
Ligand information
Ligand IDXMZ
InChIInChI=1S/C20H22N2O3/c1-5-25-15-10-21-9-12(4)16(15)17-14-8-6-7-13(11(2)3)18(14)22-19(17)20(23)24/h6-11,22H,5H2,1-4H3,(H,23,24)
InChIKeyDOUTYJZPRYELQE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1cncc(c1c2c3cccc(c3[nH]c2C(=O)O)C(C)C)C
CACTVS 3.385CCOc1cncc(C)c1c2c([nH]c3c(cccc23)C(C)C)C(O)=O
FormulaC20 H22 N2 O3
Name3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8pa5 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8pa5 Crystal structure of the metallo-beta-lactamase VIM1 with 2540
Resolution1.1 Å
Binding residue
(original residue number in PDB)		F62 Y67 W87 H116 H179 C198 G209 N210 H240
Binding residue
(residue number reindexed from 1)		F34 Y39 W59 H88 H151 C170 G181 N182 H212
Annotation score1
External links