Structure of PDB 4m52 Chain B

Receptor sequence
>4m52B (length=465) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
SMTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPS
KALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHF
LMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLV
PGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTI
VEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTV
TKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRT
NVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRAT
FCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVA
DAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEA
LQECFHGLVGHMINF
3D structure
PDB4m52 Lipoamide channel-binding sulfonamides selectively inhibit mycobacterial lipoamide dehydrogenase.
ChainB
Resolution2.4 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)		 Binding affinity
BS01 FAD B L9 G10 G12 P13 E33 P34 Y36 G39 V40 C41 G45 C46 K50 Y112 G113 A141 T142 Y161 I182 Y276 G308 D309 Q315 L316 A317 L10 G11 G13 P14 E34 P35 Y37 G40 V41 C42 G46 C47 K51 Y113 G114 A142 T143 Y162 I183 Y277 G309 D310 Q316 L317 A318
BS02 M52 B P13 Y16 R93 G96 F99 E321 P14 Y17 R94 G97 F100 E322 MOAD: Ki=140nM
BindingDB: IC50=960nM
BS03 M52 B A381 H443 N463 A382 H444 N464 MOAD: Ki=140nM
BindingDB: IC50=960nM
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:4m52, PDBe:4m52, PDBj:4m52
PDBsum4m52
PubMed24251446
UniProtP9WHH9|DLDH_MYCTU Dihydrolipoyl dehydrogenase (Gene Name=lpdC)

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