PDB entry 4h24

View 4h24 on RCSB PDB site
Description: Cytochrome P450BM3-CIS cyclopropanation catalyst
Class: oxidoreductase
Keywords: Cytochrome P450, Enzymatic Cyclopropanation, directed evolution, non-natural function, OXIDOREDUCTASE
Deposited on 2012-09-11, released 2013-06-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-12-18, with a file datestamp of 2013-12-13.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.188
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cytochrome P450-BM3 variant P450BM3-Cis
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (78)
      • engineered mutation (87)
      • engineered mutation (142)
      • engineered mutation (175)
      • engineered mutation (184)
      • engineered mutation (226)
      • engineered mutation (236)
      • engineered mutation (252)
      • engineered mutation (268)
      • engineered mutation (290)
      • engineered mutation (353)
      • engineered mutation (366)
      • engineered mutation (442)
    Domains in SCOPe 2.07: d4h24a_
  • Chain 'B':
    Compound: Cytochrome P450-BM3 variant P450BM3-Cis
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (78)
      • engineered mutation (87)
      • engineered mutation (142)
      • engineered mutation (175)
      • engineered mutation (184)
      • engineered mutation (236)
      • engineered mutation (252)
      • engineered mutation (268)
      • engineered mutation (290)
      • engineered mutation (353)
      • engineered mutation (366)
      • engineered mutation (442)
    Domains in SCOPe 2.07: d4h24b_
  • Chain 'C':
    Compound: Cytochrome P450-BM3 variant P450BM3-Cis
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (78)
      • engineered mutation (87)
      • engineered mutation (142)
      • engineered mutation (175)
      • engineered mutation (184)
      • engineered mutation (226)
      • engineered mutation (236)
      • engineered mutation (252)
      • engineered mutation (268)
      • engineered mutation (290)
      • engineered mutation (353)
      • engineered mutation (366)
      • engineered mutation (442)
    Domains in SCOPe 2.07: d4h24c_
  • Chain 'D':
    Compound: Cytochrome P450-BM3 variant P450BM3-Cis
    Species: Bacillus megaterium [TaxId:1404]
    Gene: CYP102A1, cyp102
    Database cross-references and differences (RAF-indexed):
    • Uniprot P14779
      • engineered mutation (78)
      • engineered mutation (87)
      • engineered mutation (142)
      • engineered mutation (175)
      • engineered mutation (184)
      • engineered mutation (226)
      • engineered mutation (236)
      • engineered mutation (252)
      • engineered mutation (268)
      • engineered mutation (290)
      • engineered mutation (353)
      • engineered mutation (366)
      • engineered mutation (442)
    Domains in SCOPe 2.07: d4h24d_
  • Heterogens: HEM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4h24A (A:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvr
aldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmln
gkdpetgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipq
lhrdktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpkgfvvkakskkiplggipspsthhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4h24A (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvra
ldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmlng
kdpetgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipql
hrdktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpkgfvvkakskkiplgg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4h24B (B:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvr
aldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmln
gkdpetgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipq
lhrdktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpkgfvvkakskkiplggipspsthhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4h24B (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvra
ldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkaddlltqmlngkdpet
geplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlvdpvpsy
kqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipqlhrdkt
vwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdfed
htnyeldiketltlkpkgfvvkakskkiplgg

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4h24C (C:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvr
aldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmln
gkdpetgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipq
lhrdktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpkgfvvkakskkiplggipspsthhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4h24C (C:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlike
acdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvra
ldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmlng
kdpetgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipql
hrdktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketltlkpkgfvvkakskkiplg

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4h24D (D:)
mtikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlik
eacdesrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhamm
vdiavqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvr
aldevmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmln
gkdpetgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlv
dpvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipq
lhrdktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlk
hfdfedhtnyeldiketltlkpkgfvvkakskkiplggipspsthhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4h24D (D:)
empqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtrylssqrlikeacd
esrfdknlsqalkfardfagdglvtswtheknwkkahnillpsfsqqamkgyhammvdia
vqlvqkwerlnadehievsedmtrltldtiglcgfnyrfnsfyrdqphpfiismvralde
vmnklqranpddpaydenkrqfqedikvmndlvdkiiadrkargeqsddlltqmlngkdp
etgeplddgniryqiitfliagheatsgllsfalyflvknphvlqkvaeeaarvlvdpvp
sykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdevmvlipqlhrd
ktvwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhfdf
edhtnyeldiketltlkpkgfvvkakskkiplggi