PDB entry 7egn

View 7egn on RCSB PDB site
Description: Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Class: oxidoreductase
Keywords: Dual-functional small molecule, P450 heme domain, Complex, OXIDOREDUCTASE
Deposited on 2021-03-24, released 2021-08-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-08-18, with a file datestamp of 2021-08-13.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (1-456)
      • expression tag (0)
      • engineered mutation (88)
      • expression tag (457-464)
    Domains in SCOPe 2.08: d7egna_
  • Chain 'B':
    Compound: Bifunctional cytochrome P450/NADPH--P450 reductase
    Species: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) [TaxId:1348623]
    Gene: cyp102A1, cyp102, BG04_163
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779 (1-456)
      • expression tag (0)
      • engineered mutation (88)
      • expression tag (457-464)
    Domains in SCOPe 2.08: d7egnb_
  • Heterogens: HOA, HEM, IC6, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7egnA (A:)
gmtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrli
keacdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyham
mvdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmv
raldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthml
ngkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvl
vdpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlip
qlhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmml
khfdfedhtnyeldiketltlkpegfvvkakskkipllehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >7egnA (A:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqrapddpaydenkrqfqedikvmndlvdkiiadrksgeqsddllthmlngkdpe
tgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvps
ykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdk
tiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfe
dhtnyeldiketltlkpegfvvkakskkipl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7egnB (B:)
gmtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrli
keacdesrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyham
mvdiavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmv
raldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthml
ngkdpetgeplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvl
vdpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlip
qlhrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmml
khfdfedhtnyeldiketltlkpegfvvkakskkipllehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >7egnB (B:)
kempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeac
desrfdknlsqalkfvrdfagdglatswtheknwkkahnillpsfsqqamkgyhammvdi
avqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvrald
eamnklqrdpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngkdpetg
eplddeniryqiitfliaghettsgllsfalyflvknphvlqkaaeeaarvlvdpvpsyk
qvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlhrdkti
wgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfedh
tnyeldiketltlkpegfvvkakskkipl