Structure of PDB 3zhu Chain B

Receptor sequence

>3zhuB (length=836) Species: 1772 (Mycolicibacterium smegmatis)

DKNARVIELIAAYRNRGHLMADIDPLRLDWDLDREFKVGVQRKKLRDILS
VLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVAEQKYILSKLN
AAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGLDEVVIAM
PHRGRLNVLANIVGKPYSQIFSEFEGNLNHGSGDVKYHLGATGTYIQMFG
DNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEGSDNRFSVVPLM
LHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQIGFTTAPTDSRS
SEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQAFKKDVVIDMLC
YRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIGRGDISMKEAED
ALRDYQGQLERVFNEVRELEKHEIEPSESVEADQQIPSKLATAVDKAMLQ
RIGDAHLALPEGFTVHPRVRPVLEKRREMAYEGRIDWAFAELLALGSLIA
EGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLLATNPDGTPTGG
KFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDFVNGAQSIIDEF
ISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQLWAEGSMTIAM
PSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVSDIRDFTESKFR
SVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKENREDVAIVRIE
QLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSFGLTLPEILPDH
FTGLKRISRRAMSAPSSGSSKVHAVEQQEILDTAFG

3D structure

• PDB: 3zhu A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
• Chain: B
• Resolution: 2.3 Å

Enzymatic activity

• Enzyme Commision number: 1.2.4.2: oxoglutarate dehydrogenase (succinyl-transferring).
  2.2.1.5: 2-hydroxy-3-oxoadipate synthase.
  2.3.1.61: dihydrolipoyllysine-residue succinyltransferase.
  4.1.1.71: 2-oxoglutarate decarboxylase.

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	TD8	B	Q901 L950 E952 Q976 F980 H1020	Q510 L559 E561 Q585 F589 H629
BS02	TD8	B	F506 H539 R540 Y578 H579 S604 L606 G644 D645 A646 A647 Q651 N678 I680 H747	F119 H152 R153 Y187 H188 S213 L215 G253 D254 A255 A256 Q260 N287 I289 H356
BS03	MG	B	D645 N678 I680	D254 N287 I289
BS04	CA	B	D1004 H1055 D1058 I1060	D613 H664 D667 I669

Gene Ontology

Molecular Function

• GO:0016624 oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
• GO:0030976 thiamine pyrophosphate binding

External links

• PDB: RCSB:3zhu, PDBe:3zhu, PDBj:3zhu
• PDBsum: 3zhu
• PubMed: 24171907
• UniProt: A0R2B1|KGD_MYCS2 Multifunctional 2-oxoglutarate metabolism enzyme (Gene Name=kgd)