Structure of PDB 4gph Chain C Binding Site BS02

Receptor Information

>4gph Chain C (length=212) Species: 1717 (Corynebacterium diphtheriae)

TATAGLAVELKQSTAQAHEKAEHSTFMSDLLKGRLGVAEFTRLQEQAWLF
YTALEQAVDAVRASGFAESLLDPALNRAEVLARDLDKLNGSSEWRSRITA
SPAVIDYVNRLEEIRDNVDGPALVAHHYVRYLGDLSGGQVIARMMQRHYG
VDPEALGFYHFEGIAKLKVYKDEYREKLNNLELSDEQREHLLKEATDAFV
FNHQVFADLGKG

Ligand information

• Ligand ID: ASC
• InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
• InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N
• SMILES:
  CACTVS 3.341: OC[CH](O)[CH]1OC(=O)C(=C1O)O
  OpenEye OEToolkits 1.5.0: C(C(C1C(=C(C(=O)O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
  CACTVS 3.341: OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
  ACDLabs 10.04: O=C1OC(C(O)=C1O)C(O)CO
• Formula: C6 H8 O6
• Name: ASCORBIC ACID;
  Vitamin C
• ChEMBL: CHEMBL196
• DrugBank: DB00126
• ZINC: ZINC000100006770
• PDB chain: 4gph Chain C Residue 903

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gph Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H620 E624
• Binding residue (residue number reindexed from 1): H18 E22
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H625 Y653 V731 R732 G735 D736 G740
• Catalytic site (residue number reindexed from 1): H23 Y51 V129 R130 G133 D134 G138
• Enzyme Commision number: 1.14.14.18: heme oxygenase (biliverdin-producing).

Gene Ontology

Molecular Function

• GO:0004392 heme oxygenase (decyclizing) activity
• GO:0016491 oxidoreductase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006788 heme oxidation
• GO:0006979 response to oxidative stress
• GO:0042167 heme catabolic process

External links

• PDB: RCSB:4gph, PDBe:4gph, PDBj:4gph
• PDBsum: 4gph
• UniProt: Q54AI1