Structure of PDB 6c89 Chain C Binding Site BS01

Receptor Information
>6c89 Chain C (length=228) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDTA
WTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYAN
ALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSD
NITVGIDGTDIAFGGCLIRDSKAKSLAQLGDADTEHYAASARAFGAAFPK
ASMIVMSHSAPDSRAAITHTARMADKLR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6c89 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c89 Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics.
Resolution1.75006 Å
Binding residue
(original residue number in PDB)		D120 C221 H263
Binding residue
(residue number reindexed from 1)		D82 C166 H208
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H196 C221 R224 Q233 H263
Catalytic site (residue number reindexed from 1) H78 H80 D82 H147 C166 R169 Q178 H208
Enzyme Commision number 3.5.2.6: beta-lactamase.
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