Structure of PDB 3zhu Chain A

Receptor sequence

>3zhuA (length=847) Species: 1772 (Mycolicibacterium smegmatis)

DSIEDKNARVIELIAAYRNRGHLMADIDPLRLDNTRLTLWDLDREFKVDV
QRKKLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVA
EQKYILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAE
HGLDEVVIAMPHRGRLNVLANIVGKPYSQIFSEFEGNLNPSQAHGSGDVK
YHLGATGTYIQMFGDNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTG
EEGSDNRFSVVPLMLHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVN
NQIGFTTAPTDSRSSEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDF
RQAFKKDVVIDMLCYRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEA
LIGRGDISMKEAEDALRDYQGQLERVFNEVRELEKHEIEPSESVEADQQI
LATAVDKAMLQRIGDAHLALPEGFTVHPRVRPVLEKRREMAYEGRIDWAF
AELLALGSLIAEGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLL
ATNPDGTPTGGKFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDF
VNGAQSIIDEFISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQ
LWAEGSMTIAMPSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVS
DIRDFTESKFRSVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKE
NREDVAIVRIEQLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSF
GLTLPEILPDHFTGLKRISRRAMSAPSSGSSKVHAVEQQEILDTAFG

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: A
• 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	A	F506 H539 R540 Y578 H579 S604 H605 L606 G644 D645 A646 A647 N678 I680 G681 H747	F129 H162 R163 Y201 H202 S227 H228 L229 G267 D268 A269 A270 N301 I303 G304 H370
BS02	MG	A	D645 N678 I680	D268 N301 I303
BS03	CA	A	D1004 H1055 D1058 I1060	D624 H675 D678 I680
BS04	TD8	A	Q901 L950 E952 Q976 F980 H1020	Q521 L570 E572 Q596 F600 H640

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)