Structure of PDB 7dv1 Chain A Binding Site BS04

Receptor Information
>7dv1 Chain A (length=231) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGV
ATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYP
EAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR
Ligand information
Ligand IDHN9
InChIInChI=1S/C11H10N2O3/c14-9-3-1-8(2-4-9)7-13-6-5-12-10(13)11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyLLGCUNZOZLGRNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Cn2ccnc2C(=O)O)O
CACTVS 3.385Oc1ccc(Cn2ccnc2C(O)=O)cc1
FormulaC11 H10 N2 O3
Name1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
ChEMBLCHEMBL165087
DrugBank
ZINCZINC000027873512
PDB chain7dv1 Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dv1 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Resolution1.966 Å
Binding residue
(original residue number in PDB)		D63 G64
Binding residue
(residue number reindexed from 1)		D32 G33
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7dv1, PDBe:7dv1, PDBj:7dv1
PDBsum7dv1
PubMed34763944
UniProtQ9K2N0

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