Structure of PDB 3gwf Chain A

Receptor sequence

>3gwfA (length=511) Species: 638919 (Rhodococcus sp. HI-31)

THTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYPG
ALSDTESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRRH
FKFGTEVTSALYLDDENLWEVTTDHGEVYRAKYVVNAVGLLSAINFPNLP
GLDTFEGETIHTAAWPEGKSLAGRRVGVIGTGSTGQQVITSLAPEVEHLT
VFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWERAKNSAVAFGFEESTL
PAMSVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAASFIRA
KVAEIIEDPETARKLMPKGLFAKRPLCDSGYYEVYNRPNVEAVAIKENPI
REVTAKGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDH
WDGQPTSYLGVSTANFPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYA
ERNGVRAIEPTPEAEAEWTETCTEIANATLFVLFYLGGLRNYRAVMAEVA
ADGYRGFEVKS

3D structure

• PDB: 3gwf Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor
• Chain: A
• Resolution: 2.2 Å

Enzymatic activity

• Enzyme Commision number: 1.14.13.22: cyclohexanone monooxygenase.

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	I14 G15 G17 F18 G19 D39 K40 G46 T47 W48 W50 S58 D59 T60 Y65 E111 V112 A142 V143 G144 I392 N436 L437	I9 G10 G12 F13 G14 D34 K35 G41 T42 W43 W45 S53 D54 T55 Y60 E106 V107 A137 V138 G139 I387 N431 L432
BS02	NAP	A	D59 I184 G185 T186 G187 S188 T189 R209 T210 R329 A379 T380 G381	D54 I179 G180 T181 G182 S183 T184 R204 T205 R324 A374 T375 G376

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004497 monooxygenase activity
• GO:0004499 N,N-dimethylaniline monooxygenase activity
• GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
• GO:0050660 flavin adenine dinucleotide binding
• GO:0050661 NADP binding

External links

• PDB: RCSB:3gwf, PDBe:3gwf, PDBj:3gwf
• PDBsum: 3gwf
• PubMed: 19385644
• UniProt: C0STX7