Structure of PDB 3ccg Chain A Binding Site BS01

Receptor Information
>3ccg Chain A (length=189) Species: 272562 (Clostridium acetobutylicum ATCC 824) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMWSYDKITDYLMNNLGEKRYKHSLGVMDTAVRLAGIYNEDTEKARIAGL
VHDCAKKLPGEKIIEICTNEGYELGDEDIRNSYLLHGLAGRILAKKVIGI
DDEDVLNAIEFHTTGRPNMSLLEKIIYIADYIEPGREFKGVDELRKAADE
DLNKALLMSFDNTIKFVIDKGGFLHHNTIEARNYLISRK
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3ccg Chain A Residue 190 [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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PDB3ccg Crystal structure of predicted HD superfamily hydrolase involved in NAD metabolism (NP_347894.1) from Clostridium acetobutylicum at 1.50 A resolution
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D52 H85 H111
Binding residue
(residue number reindexed from 1)		D53 H86 H112
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.41: bis(5'-nucleosyl)-tetraphosphatase (symmetrical).
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ccg, PDBe:3ccg, PDBj:3ccg
PDBsum3ccg
PubMed
UniProtQ97JL1

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