SCOPe 2.03: Structural Classification of Proteins

PDB entry 4duf

View 4duf on RCSB PDB site
Description: cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin
Class: oxidoreductase
Keywords: cytochrome P450, MRI contrast sensor, directed evolution, OXIDOREDUCTASE
Deposited on 2012-02-21, released 2012-06-13
The last revision prior to the SCOPe 2.03 freeze date was dated 2012-08-29, with a file datestamp of 2012-08-24.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.165
AEROSPACI score: 0.54 (click here for full SPACI score report)

Chains and heterogens:

Chain 'A':
Compound: cytochrome P450 BM3 variant 2G9
Species: Bacillus megaterium [TaxId:1404]
Gene: CYP102A1, cyp102
Database cross-references and differences (RAF-indexed):
- Uniprot P14779
  - engineered mutation (49)
  - engineered mutation (86)
  - engineered mutation (267)
  - engineered mutation (437)
Domains in SCOPe 2.03: d4dufa_
Chain 'B':
Compound: cytochrome P450 BM3 variant 2G9
Species: Bacillus megaterium [TaxId:1404]
Gene: CYP102A1, cyp102
Database cross-references and differences (RAF-indexed):
- Uniprot P14779
  - engineered mutation (49)
  - engineered mutation (86)
  - engineered mutation (267)
  - engineered mutation (437)
Domains in SCOPe 2.03: d4dufb_
Chain 'C':
Compound: cytochrome P450 BM3 variant 2G9
Species: Bacillus megaterium [TaxId:1404]
Gene: CYP102A1, cyp102
Database cross-references and differences (RAF-indexed):
- Uniprot P14779
  - engineered mutation (49)
  - engineered mutation (86)
  - engineered mutation (267)
  - engineered mutation (437)
Domains in SCOPe 2.03: d4dufc_
Chain 'D':
Compound: cytochrome P450 BM3 variant 2G9
Species: Bacillus megaterium [TaxId:1404]
Gene: CYP102A1, cyp102
Database cross-references and differences (RAF-indexed):
- Uniprot P14779
  - engineered mutation (49)
  - engineered mutation (86)
  - engineered mutation (267)
  - engineered mutation (437)
Domains in SCOPe 2.03: d4dufd_
Heterogens: HEM, SRO, HOH

PDB Chain Sequences:

Chain 'A':
Sequence, based on SEQRES records: (download)

>4dufA (A:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlike
acdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlllkpegfvvkakskkiplggipspstlehhhhhh

Sequence, based on observed residues (ATOM records): (download)

>4dufA (A:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
dpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdp
vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
dfedhtnyeldiketlllkpegfvvkakskkiplgg

Chain 'B':
Sequence, based on SEQRES records: (download)

>4dufB (B:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlike
acdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlllkpegfvvkakskkiplggipspstlehhhhhh

Sequence, based on observed residues (ATOM records): (download)

>4dufB (B:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
dpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdp
vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
dfedhtnyeldiketlllkpegfvvkakskkiplgg

Chain 'C':
Sequence, based on SEQRES records: (download)

>4dufC (C:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlike
acdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlllkpegfvvkakskkiplggipspstlehhhhhh

Sequence, based on observed residues (ATOM records): (download)

>4dufC (C:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
dpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdp
vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
dfedhtnyeldiketlllkpegfvvkakskkiplgg

Chain 'D':
Sequence, based on SEQRES records: (download)

>4dufD (D:)
tikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlike
acdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammv
diavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvra
ldeamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlng
kdpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvd
pvpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipql
hrdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkh
fdfedhtnyeldiketlllkpegfvvkakskkiplggipspstlehhhhhh

Sequence, based on observed residues (ATOM records): (download)

>4dufD (D:)
ikempqpktfgelknlpllntdkpvqalmkiadelgeifkfeapgrvtcylssqrlikea
cdesrfdknlsqalkfvrdfagdglltswtheknwkkahnillpsfsqqamkgyhammvd
iavqlvqkwerlnadehievpedmtrltldtiglcgfnyrfnsfyrdqphpfitsmvral
deamnklqranpddpaydenkrqfqedikvmndlvdkiiadrkasgeqsddllthmlngk
dpetgeplddeniryqiitfliaghestsgllsfalyflvknphvlqkaaeeaarvlvdp
vpsykqvkqlkyvgmvlnealrlwptapafslyakedtvlggeyplekgdelmvlipqlh
rdktiwgddveefrperfenpsaipqhafkpfgngqracigqqfalheatlvlgmmlkhf
dfedhtnyeldiketlllkpegfvvkakskkiplgg