Structure of PDB 3gbh Chain D Binding Site BS04

Receptor Information
>3gbh Chain D (length=211) Species: 176280 (Staphylococcus epidermidis ATCC 12228) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKLTRINDFNEVLNSRKSVKVFDENYKIPREEMDEIITKATKAPSSVNMQ
PWRIAVVQSDEMKEKVKESFGFNSRQLTTSSAMLIIFGDLQNYEKAEQIY
GDAVEQQLMTEDIKAQLLDWILPYYKNLSREGMKDIVNIDSSLMAMQLML
TAKAHGYDTNPIGGFDKENIADIIGYDSDRYVPVLAIAIGKKAQDAHDSV
RLPIDDVREFL
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 chain3gbh Chain D Residue 218 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gbh Crystal structure of putative NAD(P)H:FMN oxidoreductase (NP_765521.1) from Staphylococcus epidermidis ATCC 12228 at 2.00 A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D178 D180
Binding residue
(residue number reindexed from 1)		D177 D179
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K21 Q77 G164
Catalytic site (residue number reindexed from 1) K20 Q76 G163
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3gbh, PDBe:3gbh, PDBj:3gbh
PDBsum3gbh
PubMed
UniProtA0A0H2VHN8

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