Structure of PDB 6tev Chain A

Receptor sequence

>6tevA (length=391) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]

LLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVL
EDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPK
APGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQE
DGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGE
LSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQL
RNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELV
LVLLEGANFDPEHFPNPGSIELDRPNPTSHLAFGRGQHFCPGSALGRRHA
QIGIEALLKKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW

3D structure

PDB

6tev Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.

Chain

Resolution

1.70001 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	S170 A233 I236 S237 T238 C345 P346 G347 H354 R386
Catalytic site (residue number reindexed from 1)	S165 A228 I231 S232 T233 C340 P341 G342 H349 R381
Enzyme Commision number	1.14.19.70: mycocyclosin synthase.

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)
BS01	N5W	A	M62 T65 N74 L76 V82 V83 N85 P285	M57 T60 N69 L71 V77 V78 N80 P280
BS02	N5W	A	A167 F168 W182 D185 V228 G232	A162 F163 W177 D180 V223 G227
BS03	HEM	A	M62 M86 H146 F230 G234 S237 F241 F280 L284 R286 A337 F338 H343 C345 P346 G347	M57 M81 H141 F225 G229 S232 F236 F275 L279 R281 A332 F333 H338 C340 P341 G342

Gene Ontology

	Molecular Function
GO:0004497	monooxygenase activity
GO:0005506	iron ion binding
GO:0008395	steroid hydroxylase activity
GO:0009975	cyclase activity
GO:0016491	oxidoreductase activity
GO:0016705	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0016717	oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water
GO:0020037	heme binding
GO:0036199	cholest-4-en-3-one 26-monooxygenase activity
GO:0046872	metal ion binding
GO:0070025	carbon monoxide binding

	Biological Process
GO:0006707	cholesterol catabolic process

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:6tev, PDBe:6tev, PDBj:6tev
PDBsum	6tev
PubMed	34010508
UniProt	P9WPP7\|CP121_MYCTU Mycocyclosin synthase (Gene Name=cyp121)

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