Structure of PDB 8u0q Chain B

Receptor sequence

>8u0qB (length=464) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]

MTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSK
ALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFL
MKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVP
GTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIV
EFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVT
KDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTN
VGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATF
CQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVAD
AKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEAL
QECFHGLVGHMINF

3D structure

PDB

8u0q Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.

Chain

Resolution

1.69 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

1.8.1.4: dihydrolipoyl 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)
BS01	U4I	B	Y16 R93 G96 F99 E321	Y16 R93 G96 F99 E321
BS02	U4I	B	A381 H443 E448 N463 F464	A381 H443 E448 N463 F464
BS03	FAD	B	L9 G10 G12 P13 G14 V32 E33 P34 Y36 G39 V40 C41 G45 C46 K50 Y112 G113 T142 G143 Y161 I182 Y276 G308 D309 Q315 L316 A317	L9 G10 G12 P13 G14 V32 E33 P34 Y36 G39 V40 C41 G45 C46 K50 Y112 G113 T142 G143 Y161 I182 Y276 G308 D309 Q315 L316 A317

Gene Ontology

	Molecular Function
GO:0004148	dihydrolipoyl dehydrogenase activity
GO:0004591	oxoglutarate dehydrogenase (succinyl-transferring) activity
GO:0005515	protein binding
GO:0015036	disulfide oxidoreductase activity
GO:0016209	antioxidant activity
GO:0016491	oxidoreductase activity
GO:0016655	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
GO:0016668	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
GO:0035375	zymogen binding
GO:0050660	flavin adenine dinucleotide binding
GO:0070404	NADH binding

	Biological Process
GO:0045454	cell redox homeostasis
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005576	extracellular region
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0045254	pyruvate dehydrogenase complex

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8u0q, PDBe:8u0q, PDBj:8u0q
PDBsum	8u0q
PubMed	38144256
UniProt	P9WHH9\|DLDH_MYCTU Dihydrolipoyl dehydrogenase (Gene Name=lpdC)

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