Structure of PDB 3ii4 Chain B

Receptor sequence

>3ii4B (length=464) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]

MTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSK
ALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFL
MKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVP
GTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIV
EFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVT
KDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTN
VGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATF
CQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVAD
AKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEAL
QECFHGLVGHMINF

3D structure

PDB

3ii4 Triazaspirodimethoxybenzoyls as selective inhibitors of mycobacterial lipoamide dehydrogenase .

Chain

Resolution

2.42 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)	W37 C41 C46 S49 A181 E185 H441 H443 E448
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)	Binding affinity
BS01	FAD	B	L9 G10 G12 P13 G14 V32 E33 P34 Y36 G39 V40 C41 G45 C46 K50 Y112 G113 A141 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 A141 T142 G143 Y161 I182 Y276 G308 D309 Q315 L316 A317
BS02	3II	B	A181 I182 E185 N209 P271 R288 G312 L313 L314 Q315 L316 R347 A348	A181 I182 E185 N209 P271 R288 G312 L313 L314 Q315 L316 R347 A348	MOAD: Ki=865nM

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:3ii4, PDBe:3ii4, PDBj:3ii4
PDBsum	3ii4
PubMed	20078138
UniProt	P9WHH9\|DLDH_MYCTU Dihydrolipoyl dehydrogenase (Gene Name=lpdC)

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