Structure of PDB 7kmy Chain B

Receptor sequence

>7kmyB (length=465) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]

SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPS
KALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHF
LMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLV
PGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTI
VEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTV
TKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRT
NVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRAT
FCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVA
DAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEA
LQECFHGLVGHMINF

3D structure

PDB

7kmy Whole cell active inhibitors of mycobacterial lipoamide dehydrogenase afford selectivity over the human enzyme through tight binding interactions

Chain

Resolution

2.21 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	W37 C41 C46 S49 A181 E185 H441 H443 E448
Catalytic site (residue number reindexed from 1)	W38 C42 C47 S50 A182 E186 H442 H444 E449
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	WPM	B	A381 H443 E448 N463 F464	A382 H444 E449 N464 F465
BS02	WPM	B	Y16 R93 G96 F99 E321	Y17 R94 G97 F100 E322
BS03	FAD	B	L9 G10 G12 P13 E33 P34 Y36 G39 V40 C41 G45 C46 K50 Y112 G113 T142 Y161 I182 Y276 G308 D309 Q315 L316 A317	L10 G11 G13 P14 E34 P35 Y37 G40 V41 C42 G46 C47 K51 Y113 G114 T143 Y162 I183 Y277 G309 D310 Q316 L317 A318

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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Cellular Component

External links

PDB	RCSB:7kmy, PDBe:7kmy, PDBj:7kmy
PDBsum	7kmy
PubMed	33527832
UniProt	P9WHH9\|DLDH_MYCTU Dihydrolipoyl dehydrogenase (Gene Name=lpdC)

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