Structure of PDB 2gwn Chain A Binding Site BS02

Receptor Information

>2gwn Chain A (length=451) Species: 242619 (Porphyromonas gingivalis W83)

SNAMKILLRNALITNEGKTFPGSVMIDGAFISRIIEGELPADDNLSADEV
IECSGLRLFPGCIDDQVHFREPGLTHKATIASESRAAVAGGVTSFMDMPN
TNPPTTMWERLLEKRQIGADTAWANYGFFFGGTNDNIDEIKRVDKHLVPG
LKLFLGSSTGNMLVDNKETLEKIFGECDLLIATHCEKEEIIRANKEHYKA
KYGNDLDIHFHPLIRSEEACYRSSAEAVELAERMNARLHILHLSTEKELS
LFRNDIPTAQKRITSEVCVHHLWFSDTDYGRLGNRIKWNPAIKKESDREA
LRAAVRNGRIDIIATDHAPHLLREKEGSCLQAASGGPLVQHSLLALLELC
NQGIFSIEEIVSKTAHIPATLFAIEKRGYIRPGYYADLVLVDPSSPHTVS
ADNILSLCGWSPFEGFTFSHSVAYTFVNGCLAYAKGRLAESRPTVHPLFF
N

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2gwn Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gwn The structure of putative dihydroorotase from Porphyromonas gingivalis.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): Q63 H65 K149 D313
• Binding residue (residue number reindexed from 1): Q66 H68 K152 D316
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004038 allantoinase activity
• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
• GO:0046872 metal ion binding

Biological Process

• GO:0006145 purine nucleobase catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2gwn, PDBe:2gwn, PDBj:2gwn
• PDBsum: 2gwn
• UniProt: Q7MVW1