Structure of PDB 1twr Chain B Binding Site BS02

Receptor Information

>1twr Chain B (length=214) Species: 9606 (Homo sapiens)

PQDLSEALKEATKEVHTQAENAEFMRNFQKGQVTRDGFKLVMASLYHIYV
ALEEEIERNKESPVFAPVYFPEELHRKAALEQDLAFWYGPRWQEVIPYTP
AMQRYVKRLHEVGRTEPELLVAHAYTRYLGDLSGGQVLKKIAQKALDLPS
SGEGLAFFTFPNIASATKFKQLYRSRMNSLEMTPAVRQRVIEEAKTAFLL
NIQLFEELQELLTH

Ligand information

• Ligand ID: NO
• InChI: InChI=1S/HNO/c1-2/h1H
• InChIKey: ODUCDPQEXGNKDN-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: [N]=O
• Formula: N O
• Name: NITRIC OXIDE;
  Nitrogen monoxide
• ChEMBL: CHEMBL1234765
• PDB chain: 1twr Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1twr Crystal structures of ferrous and ferrous-NO forms of verdoheme in a complex with human heme oxygenase-1: catalytic implications for heme cleavage.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): G139 G143
• Binding residue (residue number reindexed from 1): G130 G134
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N30 Y58 T135 R136 G139 D140 G144
• Catalytic site (residue number reindexed from 1): N21 Y49 T126 R127 G130 D131 G135
• Enzyme Commision number: 1.14.14.18: heme oxygenase (biliverdin-producing).

Gene Ontology

Molecular Function

• GO:0004392 heme oxygenase (decyclizing) activity

Biological Process

• GO:0006788 heme oxidation

External links

• PDB: RCSB:1twr, PDBe:1twr, PDBj:1twr
• PDBsum: 1twr
• PubMed: 15522396
• UniProt: P09601|HMOX1_HUMAN Heme oxygenase 1 (Gene Name=HMOX1)