Structure of PDB 3ucl Chain A

Receptor sequence

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

TTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYWNRYP
GALSDTESHLYRFSFDRDLLQESTWKTTYITQPEILEYLEDVVDRFDLRR
HFKFGTEVTSALYLDDENLWEVTTDHGEVYRAKYVVNAVGLNFPNLPGLD
TFEGETIHTAAWPEGKSLAGRRVGVIGTGSTGQQVITSLAPEVEHLTVFV
RTPQYSVPVGNRPVNPEQIAEIKADYDRIWERAKNSAVAFGFEESTLPAM
SVSEEERNRIFQEAWDHGGGFRFMFGTFGDIATDEAANEAAASFIRAKVA
EIIEDPETARKLMPKGLFAKRPLCDSGYYEVYNRPNVEAVAIKENPIREV
TAKGVVTEDGVLHELDVLVFATGFDAVDGNYRRIEIRGRDGLHINDHWDG
QPTSYLGVSTANFPNWFMVLGPNGPFTNLPPSIETQVEWISDTIGYAERN
GVRAIEPTPEAEAEWTETCTEIANATLFTKSVLFYLGGLRNYRAVMAEVA
ADGYRGFEVKS

3D structure

• PDB: 3ucl The Substrate-Bound Crystal Structure of a Baeyer-Villiger Monooxygenase Exhibits a Criegee-like Conformation.
• Chain: A
• Resolution: 2.36 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 S58 D59 T60 Y65 E111 V112 V143 G144 R329 N436 L437	I10 G11 G13 F14 G15 D35 K36 G42 T43 W44 S54 D55 T56 Y61 E107 V108 V139 G140 R321 N428 L429
BS02	NAP	A	L145 P152 G185 T186 T189 R209 T210 A379 T380 G381 F507	L141 P144 G177 T178 T181 R201 T202 A371 T372 G373 F484	MOAD: Ki=0.165mM
BS03	CYH	A	D59 S188	D55 S180

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:3ucl, PDBe:3ucl, PDBj:3ucl
• PDBsum: 3ucl
• PubMed: 22506764
• UniProt: C0STX7