Structure of PDB 1wur Chain B Binding Site BS02

Receptor Information

>1wur Chain B (length=185) Species: 274 (Thermus thermophilus)

EVDLERLQALAAEWLQVIGEDPGREGLLKTPERVAKAWAFLTRGYRQRLE
EVVGGAVFPAEGSEMVVVKGVEFYSMCEHHLLPFFGKVHIGYIPDGKILG
LSKFARIVDMFARRLQVQERLAVQIAEAIQEVLEPQGVGVVVEGVHLCMM
MRGVEKQHSRTVTSAMLGVFRENQKTREEFLSHLR

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: 1wur Chain B Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wur Novel reaction mechanism of GTP cyclohydrolase I. High-resolution X-ray crystallography of Thermus thermophilus HB8 enzyme complexed with a transition state analogue, the 8-oxoguanine derivative
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): C108 H111 C179
• Binding residue (residue number reindexed from 1): C77 H80 C148
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C108 E109 H110 H111 Q149 H177 C179
• Catalytic site (residue number reindexed from 1): C77 E78 H79 H80 Q118 H146 C148
• Enzyme Commision number: 3.5.4.16: GTP cyclohydrolase I.

Gene Ontology

Molecular Function

• GO:0003934 GTP cyclohydrolase I activity
• GO:0005525 GTP binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006729 tetrahydrobiopterin biosynthetic process
• GO:0006730 one-carbon metabolic process
• GO:0046654 tetrahydrofolate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1wur, PDBe:1wur, PDBj:1wur
• PDBsum: 1wur
• PubMed: 16169877
• UniProt: Q5SH52