Structure of PDB 6t0j Chain A

Receptor sequence
>6t0jA (length=429) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
HMGLNTAIATRVNGTPPPEVPIADIELGSLDFWALDDDVRDGAFATLRRE
APISFWPTIELPGFVAGNGHWALTKYDDVFYASRHPDIFSSYPNITINDQ
TPELAEYFGSMIVLDDPRHQRLRSIVSRAFTPKVVARIEAAVRDRAHRLV
SSMIANNPDRQADLVSELAGPLPLQIICDMMGIPKADHQRIFHWTNVILG
FGDPDLATDFDEFMQVSADIGAYATALAEDRRVNHHDDLTSSLVEAEVDG
ERLSSREIASFFILLVVAGNETTRNAITHGVLALSRYPEQRDRWWSDFDG
LAPTAVEEIVRWASPVVYMRRTLTQDIELRGTKMAAGDKVSLWYCSANRD
ESKFADPWTFDLARNPNPHLGFGGGGAHFCLGANLARREIRVAFDELRRQ
MPDVVATEEPARLLSQFIHGIKTLPVTWS
3D structure
PDB6t0j Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
ChainA
Resolution1.25 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G199 A267 E270 T271 T272 C379 L380 G381 E388 I417
Catalytic site (residue number reindexed from 1) G200 A268 E271 T272 T273 C380 L381 G382 E389 I418
Enzyme Commision number 1.14.15.14: methyl-branched lipid omega-hydroxylase.
1.14.15.28: cholest-4-en-3-one 26-monooxygenase [(25R)-3-oxocholest-4-en-26-oate forming].
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 HEM A I111 H118 R122 A267 G268 T271 T272 P314 R320 G370 F371 H377 C379 L380 G381 A385 I112 H119 R123 A268 G269 T272 T273 P315 R321 G371 F372 H378 C380 L381 G382 A386
BS02 RWZ A L60 F63 F107 I197 L61 F64 F108 I198 MOAD: Kd=3.4uM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008395 steroid hydroxylase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0031073 cholesterol 26-hydroxylase activity
GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
GO:0046872 metal ion binding
GO:0070402 NADPH binding
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006707 cholesterol catabolic process
GO:0010430 fatty acid omega-oxidation
GO:0097089 methyl-branched fatty acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6t0j, PDBe:6t0j, PDBj:6t0j
PDBsum6t0j
PubMed33081390
UniProtP9WPP3|CP124_MYCTU Methyl-branched lipid omega-hydroxylase (Gene Name=cyp124)

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