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PDBsum entry 3na0

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protein ligands Protein-protein interface(s) links
Oxidoreductase, electron transport PDB id
3na0
Jmol
Contents
Protein chains
470 a.a. *
28 a.a. *
Ligands
HEM ×2
2DC ×2
FES ×2
Waters ×291
* Residue conservation analysis
PDB id:
3na0
Name: Oxidoreductase, electron transport
Title: Crystal structure of human cyp11a1 in complex with 20,22- dihydroxycholesterol
Structure: Cholesterol side-chain cleavage enzyme, mitochond chain: a, b. Fragment: unp residues 44-514. Synonym: cytochrome p450 11a1, cypxia1, cytochrome p450(scc cholesterol desmolase. Engineered: yes. Adrenodoxin, mitochondrial. Chain: c, d. Fragment: unp residues 88-155.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: cyp11a, cyp11a1. Expressed in: escherichia coli. Expression_system_taxid: 562. Gene: adrenodoxin, adx, fdx1.
Resolution:
2.50Å     R-factor:   0.203     R-free:   0.245
Authors: N.V.Strushkevich,F.Mackenzie,W.Tempel,A.Botchkarev,C.H.Arrow A.M.Edwards,C.Bountra,J.U.Weigelt,H.Park,Structural Genomic Consortium (Sgc)
Key ref: N.Strushkevich et al. (2011). Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system. Proc Natl Acad Sci U S A, 108, 10139-10143. PubMed id: 21636783
Date:
31-May-10     Release date:   08-Sep-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P05108  (CP11A_HUMAN) -  Cholesterol side-chain cleavage enzyme, mitochondrial
Seq:
Struc:
 
Seq:
Struc:
521 a.a.
470 a.a.
Protein chains
Pfam   ArchSchema ?
P10109  (ADX_HUMAN) -  Adrenodoxin, mitochondrial
Seq:
Struc:
184 a.a.
28 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 3 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: Chains A, B: E.C.1.14.15.6  - Cholesterol monooxygenase (side-chain-cleaving).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Cholesterol + 6 reduced adrenodoxin + 3 O2 + 6 H+ = pregnenolone + 4-methylpentanal + 6 oxidized adrenodoxin + 4 H2O
Cholesterol
Bound ligand (Het Group name = 2DC)
matches with 93.33% similarity
+ 6 × reduced adrenodoxin
+ 3 × O(2)
+ 6 × H(+)
= pregnenolone
+ 4-methylpentanal
+ 6 × oxidized adrenodoxin
+ 4 × H(2)O
      Cofactor: Heme-thiolate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   7 terms 
  Biological process     small molecule metabolic process   62 terms 
  Biochemical function     electron carrier activity     11 terms  

 

 
    reference    
 
 
Proc Natl Acad Sci U S A 108:10139-10143 (2011)
PubMed id: 21636783  
 
 
Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
N.Strushkevich, F.MacKenzie, T.Cherkesova, I.Grabovec, S.Usanov, H.W.Park.
 
  ABSTRACT  
 
No abstract given.