Structure of PDB 2woc Chain A Binding Site BS01

Receptor Information
>2woc Chain A (length=291) Species: 1085 (Rhodospirillum rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPSVHDRALGAFLGLAVGDALGATVEFMTKGEIAQQYGIHRKMTGGGWLR
LKPGQITDDTEMSLALGRSLAAKGTLDVADICEEFALWLKSRPVDVGNTC
RRGIRRYMHEGTTTAPYSEGDAGNGAAMRCLPAALATLGHPADLEPWVLA
QARITHNHPLSDAACLTLGRMVHHLIGGRGMKACREEANRLVHQHRDFHF
EPYKGQSSAYIVDTMQTVLHYYFVTDTFKSCLIQTVNQGGDADTTGALAG
MLAGATYGVDDIPSGWLSKLDMKVEREIRRQVDALLALAGL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2woc Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2woc Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D243 D245 T246
Binding residue
(residue number reindexed from 1)		D241 D243 T244
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.2.24: ADP-ribosyl-[dinitrogen reductase] hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047407 ADP-ribosyl-[dinitrogen reductase] hydrolase activity
Biological Process
GO:0009399 nitrogen fixation
GO:0051725 protein de-ADP-ribosylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2woc, PDBe:2woc, PDBj:2woc
PDBsum2woc
PubMed19706507
UniProtP14300|DRAG_RHORU ADP-ribosyl-[dinitrogen reductase] glycohydrolase (Gene Name=draG)

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