Structure of PDB 6auf Chain B Binding Site BS01

Receptor Information
>6auf Chain B (length=273) Species: 1088721 (Novosphingobium pentaromativorans US6-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTTLATACKGLDGREGWSHPAPPAHIYGNTWYVGTCGIASILVTSDDGHV
LIDSGPADAAPLVLANIRKLGFDPADVRWILTSHEHHDHAGSIAELQKAT
GAQIAAVASARQVLESGKPSADDPQSGLIEGFPPVHVARVLVDGDSVTLG
RLALTVRETPAHSPGSASWTWQACDEAFTCRMIAYADSATTISADDYRFS
DHPDRIARIRTGLSRIAQLPCDILVTPHPSASNLFDRLSGKAPLVNAQAC
AAYSQAAGSYFAKRLAEEAGEAA
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 chain6auf Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6auf Crystal structure of Metalo beta Lactamases MIM-1 from Novosphingobium pentaromativorans
Resolution2.603 Å
Binding residue
(original residue number in PDB)		D120 H121 H260
Binding residue
(residue number reindexed from 1)		D88 H89 H228
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H121 H194 Y229 H260
Catalytic site (residue number reindexed from 1) H84 H86 D88 H89 H162 Y197 H228
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
GO:0046872 metal ion binding
Biological Process
GO:0030655 beta-lactam antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6auf, PDBe:6auf, PDBj:6auf
PDBsum6auf
PubMed
UniProtG6EHN2

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