Structure of PDB 6gqi Chain A

Receptor sequence

>6gqiA (length=529) Species: 37926 (Thermocrispum municipale)

TPDLDAIVIGAGFGGIYMLHKLRNDLGLSVRVFEKGGGVGGTWYWNKYPG
AKSDTEGFVYRYSFDKELLREYDWTTRYLDQPDVLAYLEHVVERYDLARD
IQLNTEVTDAIFDEETELWRVTTAGGETLTARFLVTALGLLSRSNIPDIP
GRDSFAGRLVHTNAWPEDLDITGKRVGVIGTGSTGTQFIVAAAKMAEQLT
VFQRTPQYCVPSGNGPMDPDEVARIKQNFDSIWDQVRSSTVAFGFEESTV
EAMSVSESERQRVFQQAWDKGNGFRFMFGTFCDIATNPEANAAAAAFIRS
KIAEIVKDPETARKLTPTDLYAKRPLCNEGYYETYNRDNVSLVSLKETPI
EEIVPQGVRTSDGVVHELDVLVFATGFDAVDGNYRAMNLRGRDGRHINEH
WTEGPTSYLGVTKAGFPNMFMILGPNGPFTNLPPSIEAQVEWISDLIDKA
TREGLTTVEPTADAEREWTETCAEIANMTLFPKADSWIFGANIPGKRHAV
MFYLGGLGNYRRQLADVADGGYRGFQLRG

3D structure

• PDB: 6gqi Side-Chain Pruning Has Limited Impact on Substrate Preference in a Promiscuous Enzyme.
• Chain: A
• Resolution: 2.0 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 G17 G19 E39 K40 G46 T47 W48 W50 S58 D59 T60 Y65 E111 V112 A142 L143 G144 N388 N436 L437	I9 G12 G14 E34 K35 G41 T42 W43 W45 S53 D54 T55 Y60 E106 V107 A137 L138 G139 N383 N431 L432
BS02	NAP	A	K57 D59 L146 P152 I184 G185 T186 G187 S188 T189 Q192 R209 T210 R329 A379 T380 G381 W492	K52 D54 L141 P147 I179 G180 T181 G182 S183 T184 Q187 R204 T205 R324 A374 T375 G376 W487
BS03	6NA	A	R329 F434 T435 L437 F507	R324 F429 T430 L432 F502

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase 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:0018667 cyclohexanone monooxygenase activity

External links

• PDB: RCSB:6gqi, PDBe:6gqi, PDBj:6gqi
• PDBsum: 6gqi
• PubMed: 30687578
• UniProt: A0A1L1QK40