Structure of PDB 8oqs Chain A

Receptor sequence

>8oqsA (length=733) Species: 83332 (Mycobacterium tuberculosis H37Rv)

SSHHHHHHSQDPNSMPDNTIQWDKDADGIVTLTMDDPSGSTNVMNEAYIE
SMGKAVDRLVAEKDSITGVVVASAKKTFFAGGDVKTMIQARPEDAGDVFN
TVETIKRQLRTLETLGKPVVAAINGAALGGGLEIALACHHRIAADVKGSQ
LGLPEVTLGLLPGGGGVTRTVRMFGIQNAFVSVLAQGTRFKPAKAKEIGL
VDELVATVEELVPAAKAWIKEELKANPDGAGVQPWDKKGYKMPGGTPSSP
GLAAILPSFPSNLRKQLKGAPMPAPRAILAAAVEGAQVDFDTASRIESRY
FASLVTGQVAKNMMQAFFFDLQAINAGGSRPEGIGKTPIKRIGVLGAGMM
GAGIAYVSAKAGYEVVLKDVSLEAAAKGKGYSEKLEAKALERGRTTQERS
DALLARITPTADAADFKGVDFVIEAVFENQELKHKVFGEIEDIVEPNAIL
GSNTSTLPITGLATGVKRQEDFIGIHFFSPVDKMPLVEIIKGEKTSDEAL
ARVFDYTLAIGKTPIVVNDSRGFFTSRVIGTFVNEALAMLGEGVEPASIE
QAGSQAGYPAPPLQLSDELNLELMHKIAVATRKGVEDAGGTYQPHPAEAV
VEKMIELGRSGRLKGAGFYEYADGKRSGLWPGLRETFKSGSSQPPLQDMI
DRMLFAEALETQKCLDEGVLTSTADANIGSIMGIGFPPWTGGSAQFIVGY
SGPAGTGKAAFVARARELAAAYGDRFLPPESLL

3D structure

• PDB: 8oqs Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme.
• Chain: A
• 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	A	T442 R507 G508 I563 A566	T456 R521 G522 I577 A580
BS02	VWZ	A	M470 P471 P545 G671	M484 P485 P559 G685
BS03	VWZ	A	T72 M73 D80 V84 T87 F287	T86 M87 D94 V98 T101 F301
BS04	VWZ	A	M30 G68 T72 M73 T87 E119 E141 F287	M44 G82 T86 M87 T101 E133 E155 F301
BS05	VWZ	A	G67 G68 E141	G81 G82 E155
BS06	VWZ	A	S441 S512 I515 M560 I563	S455 S526 I529 M574 I577
BS07	VWZ	A	H-8 S-5 Q-4 D-3 S0 M1 P2 E32	H6 S9 Q10 D11 S14 M15 P16 E46

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