PDB entry 3ben

View 3ben on RCSB PDB site
Description: Structure of N-(12-imidazolyl-dodecanoyl)-L-leucine inhibitor bound to the heme domain of Cytochrome P450-BM3
Class: oxidoreductase
Keywords: PROTEIN-SUBSTRATE COMPLEX, HEMEPROTEIN, Electron transport, FAD, Flavoprotein, FMN, Iron, Membrane, Metal-binding, Monooxygenase, Multifunctional enzyme, NADP, Oxidoreductase, Transport
Deposited on 2007-11-19, released 2008-09-30
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: 0.162
AEROSPACI score: 0.61 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450 102
    Species: Bacillus megaterium
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3bena_
  • Chain 'B':
    Compound: Cytochrome P450 102
    Species: Bacillus megaterium
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3benb_
  • Heterogens: HEM, LEH, MG, MES, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3benA (A:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
gkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpegfvvkakskkiplggipspsteqsakk

    Sequence, based on observed residues (ATOM records): (download) 
    >3benA (A:)
empqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeacd
esrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammvdia
vqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvralde
amnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdp
etgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvp
sykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrd
ktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdf
edhtnyeldiketltlkpegfvvkakskkiplgg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3benB (B:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvr
aldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmln
gkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipq
lhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpegfvvkakskkiplggipspsteqsakk

    Sequence, based on observed residues (ATOM records): (download) 
    >3benB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfvrdfagdglftswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpegfvvkakskkiplgg