Structure of PDB 4d50 Chain B Binding Site BS01

Receptor Information

>4d50 Chain B (length=290) Species: 9606 (Homo sapiens)

GPLGSMVTEQEVDAIGQTLVDPKQPLQARFRALFTLRGLGGPGAIAWISQ
AFDDDSALLKHELAYCLGQMQDARAIPMLVDVLQDTRQEPMVRHEAGEAL
GAIGDPEVLEILKQYSSDPVIEVAETCQLAVRRLEWLQQHGGEPAAGPYL
SVDPAPPAEERDVGRLREALLDESRPLFERYRAMFALRNAGGEEAALALA
EGLHCGSALFRHEVGYVLGQLQHEAAVPQLAAALARCTENPMVRHECAEA
LGAIARPACLAALQAHADDPERVVRESCEVALDMYEHETG

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 4d50 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4d50 Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H89 E90 H207
• Binding residue (residue number reindexed from 1): H94 E95 H212
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.99.29: deoxyhypusine monooxygenase.

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0005506 iron ion binding
• GO:0005515 protein binding
• GO:0019135 deoxyhypusine monooxygenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008612 peptidyl-lysine modification to peptidyl-hypusine

Cellular Component

• GO:0005575 cellular_component
• GO:0005829 cytosol

External links

• PDB: RCSB:4d50, PDBe:4d50, PDBj:4d50
• PDBsum: 4d50
• PubMed: 25865244
• UniProt: Q9BU89|DOHH_HUMAN Deoxyhypusine hydroxylase (Gene Name=DOHH)