Structure of PDB 3zhu Chain C

Receptor sequence

>3zhuC (length=845) Species: 1772 (Mycolicibacterium smegmatis)

EDKNARVIELIAAYRNRGHLMADIDPLRLDNTRFRGLTLWDLDREFKVRK
KLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVAEQK
YILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGL
DEVVIAMPHRGRLNVLANIVGKPYSQIFSEFEGNLNPSQAHGSGDVKYHL
GATGTYIQMFGDNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEG
SDNRFSVVPLMLHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQI
GFTTAPTDSRSSEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQA
FKKDVVIDMLCYRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIG
RGDISMKEAEDALRDYQGQLERVFNEVRELEKHEIEPSESVEADQQIKLA
TAVDKAMLQRIGDAHLALPEGFTVHPRVRPVLEKRREMAYEGRIDWAFAE
LLALGSLIAEGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLLAT
NPDGTPTGGKFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDFVN
GAQSIIDEFISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQLW
AEGSMTIAMPSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVSDI
RDFTESKFRSVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKENR
EDVAIVRIEQLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSFGL
TLPEILPDHFTGLKRISRRAMSAPSSGSSKVHAVEQQEILDTAFG

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: C
• 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	C	F506 H539 R540 Y578 H579 S604 L606 G644 D645 A646 A647 Q651 N678 I680 G681 H747	F126 H159 R160 Y198 H199 S224 L226 G264 D265 A266 A267 Q271 N298 I300 G301 H367
BS02	MG	C	D645 N678 I680	D265 N298 I300
BS03	CA	C	D1004 H1055 D1058 I1060	D622 H673 D676 I678
BS04	TD8	C	Q901 L950 E952 Q976 F980 H1020	Q519 L568 E570 Q594 F598 H638

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)