Structure of PDB 8pa4 Chain A Binding Site BS01

Receptor Information

>8pa4 Chain A (length=232) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SGEYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDE
LLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAA
GVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAH
STDNLVVYVPSANVLYGGCAVHELSSTSAGNVADADLAEWPTSVERIQKH
YPEAEVVIPGHGLPGGLDLLQHTANVVKAHKN

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

8pa4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8pa4 Crystal structure of the metallo-beta-lactamase VIM1 with 2526
Resolution	1.11 Å
Binding residue (original residue number in PDB)	H114 H116 H179
Binding residue (residue number reindexed from 1)	H85 H87 H150
Annotation score	1

External links

PDB	RCSB:8pa4, PDBe:8pa4, PDBj:8pa4
PDBsum	8pa4
PubMed
UniProt	Q9XAY4

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