Structure of PDB 2woe Chain B Binding Site BS01

Receptor Information

>2woe Chain B (length=291) Species: 1085 (Rhodospirillum rubrum)

GPSVHDRALGAFLGLAVGDALGATVEFMTKGEIAQQYGIHRKMTGGGWLR
LKPGQITDDTEMSLALGRSLAAKGTLDVADICEEFALWLKSRPVNVGNTC
RRGIRRYMHEGTTTAPYSEGDAGNGAAMRCLPAALATLGHPADLEPWVLA
QARITHNHPLSDAACLTLGRMVHHLIGGRGMKACREEANRLVHQHRDFHF
EPYKGQSSAYIVDTMQTVLHYYFVTDTFKSCLIQTVNQGGDADTTGALAG
MLAGATYGVDDIPSGWLSKLDMKVEREIRRQVDALLALAGL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 2woe Chain B Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2woe Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E28 D243 D245 T246
• Binding residue (residue number reindexed from 1): E26 D241 D243 T244
• Annotation score: 1

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

External links

• PDB: RCSB:2woe, PDBe:2woe, PDBj:2woe
• PDBsum: 2woe
• PubMed: 19706507
• UniProt: P14300|DRAG_RHORU ADP-ribosyl-[dinitrogen reductase] glycohydrolase (Gene Name=draG)