Structure of PDB 4dql Chain A

Receptor sequence

>4dqlA (length=378) Species: 1404 (Priestia megaterium)

GAFSTNVVASKELQQPGSARSTRHLEIELPKEASYQEGDHLGVIPRNYEG
IVNRVTARFGLDASQQIRLEAKTVSVEELLQYVELQDPVTRTQLRAMAAK
TVCPPHKVELEALLEKQAYKEQVLAKRLTMLELLEKYPACEMKFSEFIAL
LPSIRPRYYSISSSPRVDEKQASITVSVVSGEAWSGYGEYKGIASNYLAE
LQEGDTITCFISTPQSEFTLPKDPETPLIMVGPGTGVAPFRGFVQARKQL
KEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQSEGIITLHTAFSRMPNQ
PKTYVQHVMEQDGKKLIELLDQGAHFYICGDGSQMAPAVEATLMKSYADV
HQVSEADARLWLQQLEEKGRYAKDVWAG

3D structure

• PDB: 4dql The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3.
• Chain: A
• Resolution: 2.15 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y830 S831 C1000 D1045 W1047
• Catalytic site (residue number reindexed from 1): Y159 S160 C329 D374 W376
• Enzyme Commision number: 1.14.14.1: unspecific monooxygenase.
  1.6.2.4: NADPH--hemoprotein reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FAD	A	H700 R798 R828 Y829 Y830 S831 T846 V847 S848 E853 A854 W855 Y861 G863 I864 A865 S866 T906 W1047 G1049	H40 R127 R157 Y158 Y159 S160 T175 V176 S177 E182 A183 W184 Y190 G192 I193 A194 S195 T235 W376 G378
BS02	NAP	A	R680 S848 V850 G905 T906 C937 S966 R967 Y975 Q977 M1006	R20 S177 V179 G234 T235 C266 S295 R296 Y304 Q306 M335

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:4dql, PDBe:4dql, PDBj:4dql
• PDBsum: 4dql
• PubMed: 22356131
• UniProt: P14779|CPXB_PRIM2 Bifunctional cytochrome P450/NADPH--P450 reductase (Gene Name=cyp102A1)