Structure of PDB 4h15 Chain D Binding Site BS01

Receptor Information
>4h15 Chain D (length=261) Species: 266834 (Sinorhizobium meliloti 1021) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMMIEFLNLRGKRALITAGTKGAGAATVSLFLELGAQVLTTARARPEGLP
EELFVEADLTTKEGCAIVAEATRQRLGGVDVIVHMLGGSSAAGGGFSALS
DDDWYNELSLNLFAAVRLDRQLVPDMVARGSGVVVHVTSIQRVLPLPEST
TAYAAAKAALSTYSKAMSKEVSPKGVRVVRVSPGWIETEASVRLAERLAK
QAGTDLEGGKKIIMDGLGGIPLGRPAKPEEVANLIAFLASDRAASITGAE
YTIDGGTVPTA
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 chain4h15 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h15 Crystal Structure of a short chain alcohol dehydrogenase-related dehydrogenase (target ID NYSGRC-011812) from Sinorhizobium meliloti 1021 in space group P21
Resolution1.45 Å
Binding residue
(original residue number in PDB)		A96 D101
Binding residue
(residue number reindexed from 1)		A98 D103
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S137 Y151 K155 L196
Catalytic site (residue number reindexed from 1) S139 Y153 K157 L198
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4h15, PDBe:4h15, PDBj:4h15
PDBsum4h15
PubMed
UniProtQ92YJ2

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