Structure of PDB 5tgf Chain D Binding Site BS01

Receptor Information
>5tgf Chain D (length=332) Species: 483217 (Phocaeicola dorei DSM 17855) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYDFTPLDSIISSWMDKGYYPGGAICVVKNDSVLFEKAYGSFTGDTKVYV
ASAGKWVAAAVIGAVVDRTDLSWDDPVEKWLPQFRGDAKGGILLRQLLSH
TSGVRPYLPAPRVDNYNHLDSAVTEILSLDTVFTPGTRFEYGGLAMQIAG
RMAEVAMGKEFEPLFQELIAAPLGMTHSHFAPVNTDGGHAPMLGGGLCTT
LNDYIRFLKMIYHNGRSGNREILKPETVQTMQADQVRNAVVAPGEYVEKA
LGQHHTSIYGLGEWRELVDEATGEAYQISSPGWAGAYPWINKRDGVYGFF
IAHVQGANKKDGFSSFYGSPVLSETVTKIVNQ
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 chain5tgf Chain D Residue 402 [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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PDB5tgf Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855
Resolution1.81 Å
Binding residue
(original residue number in PDB)		V72 T75 D76 L77
Binding residue
(residue number reindexed from 1)		V66 T69 D70 L71
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S58 K61 L99 R101 R118 Y147 Q153
Catalytic site (residue number reindexed from 1) S52 K55 L93 R95 R112 Y141 Q147
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5tgf, PDBe:5tgf, PDBj:5tgf
PDBsum5tgf
PubMed
UniProtB6VTD5

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