Structure of PDB 6ao1 Chain D Binding Site BS02

Receptor Information
>6ao1 Chain D (length=352) Species: 148447 (Paraburkholderia phymatum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHMNALEHQLDYPFADGMPAAGTTQEVAPGVYWLRMPLPFALDHINL
WLLRDEIDGQKGWTIVDCGIASGEIKANWETVFDTALEGLPVLRVIVTHC
HPDHLGLANWLCEGGDKKRWNVRLWITLGEYMLGRVMAAGEGAARHFARH
GLRDEASLDKLRNRYYADLVPAVPGQYRRLRDGDALSIGARTWRVVTGFG
HSPEHCALHAEADGVLISGDMVLPRISTNVSVFDIEPEGNPLALYLESLG
RYETMAADTLVLPSHGKPFRGLHTRIGQLRDHHAARLAEVRAACADKPCS
AADIVPIMFRRALDIHQMTFAMGEALAHLHLLWLQGELTRVQGEDGVIRF
RA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6ao1 Chain D Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ao1 Crystal structure of a beta-lactamase from Burkholderia phymatum
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H94 H96 H205 D224
Binding residue
(residue number reindexed from 1)		H99 H101 H201 D220
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6ao1, PDBe:6ao1, PDBj:6ao1
PDBsum6ao1
PubMed
UniProtB2JKI6

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