Structure of PDB 8oqs Chain B

Receptor sequence

>8oqsB (length=735) Species: 83332 (Mycobacterium tuberculosis H37Rv)

GSSHHHHHHSQDPNSMPDNTIQWDKDADGIVTLTMDDPSGSTNVMNEAYI
ESMGKAVDRLVAEKDSITGVVVASAKKTFFAGGDVKTMIQARPEDAGDVF
NTVETIKRQLRTLETLGKPVVAAINGAALGGGLEIALACHHRIAADVKGS
QLGLPEVTLGLLPGGGGVTRTVRMFGIQNAFVSVLAQGTRFKPAKAKEIG
LVDELVATVEELVPAAKAWIKEELKANPDGAGVQPWDKKGYKMPGGTPSS
PGLAAILPSFPSNLRKQLKGAPMPAPRAILAAAVEGAQVDFDTASRIESR
YFASLVTGQVAKNMMQAFFFDLQAINAGGSRPEGIGKTPIKRIGVLGAGM
MGAGIAYVSAKAGYEVVLKDVSLEAAAKGKGYSEKLEAKALERGRTTQER
SDALLARITPTADAADFKGVDFVIEAVFENQELKHKVFGEIEDIVEPNAI
LGSNTSTLPITGLATGVKRQEDFIGIHFFSPVDKMPLVEIIKGEKTSDEA
LARVFDYTLAIGKTPIVVNDSRGFFTSRVIGTFVNEALAMLGEGVEPASI
EQAGSQAGYPAPPLQLSDELNLELMHKIAVATRKGVEDAGGTYQPHPAEA
VVEKMIELGRSGRLKGAGFYEYADGKRSGLWPGLRETFKSGSSQPPLQDM
IDRMLFAEALETQKCLDEGVLTSTADANIGSIMGIGFPPWTGGSAQFIVG
YSGPAGTGKAAFVARARELAAAYGDRFLPPESLLS

3D structure

• PDB: 8oqs Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme.
• Chain: B
• Resolution: 2.33 Å

Enzymatic activity

• Enzyme Commision number: 1.1.1.35: 3-hydroxyacyl-CoA dehydrogenase.

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	VWZ	B	M470 P471 P545 I667 M668 G671	M485 P486 P560 I682 M683 G686
BS02	VWZ	B	T72 M73 A76 D80 D83 V84 T87 F287	T87 M88 A91 D95 D98 V99 T102 F302
BS03	VWZ	B	M30 I35 G68 D69 T72 M73 T87 E119 F287	M45 I50 G83 D84 T87 M88 T102 E134 F302
BS04	VWZ	B	G67 E141 L144 F304	G82 E156 L159 F319
BS05	VWZ	B	S441 S512 N520 M560 I563	S456 S527 N535 M575 I578
BS06	VWZ	B	H-8 S-5 Q-4 M1 P2	H7 S10 Q11 M16 P17
BS07	VWZ	B	T442 G508 I563	T457 G523 I578

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003857 3-hydroxyacyl-CoA dehydrogenase activity
• GO:0004300 enoyl-CoA hydratase activity
• GO:0016491 oxidoreductase activity
• GO:0016509 long-chain-3-hydroxyacyl-CoA dehydrogenase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0016829 lyase activity
• GO:0070403 NAD+ binding

Biological Process

• GO:0006631 fatty acid metabolic process
• GO:0006635 fatty acid beta-oxidation
• GO:0009056 catabolic process
• GO:0016042 lipid catabolic process

Cellular Component

• GO:0005829 cytosol
• GO:0005886 plasma membrane
• GO:0009274 peptidoglycan-based cell wall

External links

• PDB: RCSB:8oqs, PDBe:8oqs, PDBj:8oqs
• PDBsum: 8oqs
• PubMed: 39012716
• UniProt: O53872