Structure of PDB 2xta Chain C

Receptor sequence

>2xtaC (length=817) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

DKNARVIELIAAYRNRGHLMADIDPLRLDNTRFHPDLDTLWDLDREFQRK
KLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVAEQK
YILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGL
DEVVIAMPHRGRLNVLANIVGKPYSQIFSEDVKYHLGATGTYIQMFGDND
IEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEGSDNRFSVVPLMLHG
DAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQIGFTTAPTDSRSSEY
CTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQAFKKDVVIDMLCYRR
RGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIGRGDISMKEAEDALR
DYQGQLERVFNEVRELEKHKLATAVDKAMLQRIGDAHLALPEGFTVHPRV
RPVLEKRREMAYEGRIDWAFAELLALGSLIAEGKLVRLSGQDTQRGTFTQ
RHAVIVDRKTGEEFTPLQLLATNPDGTPTGGKFLVYNSALSEFAAVGFEY
GYSVGNPDAMVLWEAQFGDFVNGAQSIIDEFISSGEAKWGQLSDVVLLLP
HGHEGQGPDHTSGRIERFLQLWAEGSMTIAMPSTPANYFHLLRRHGKDGI
QRPLIVFTPKSMLRNKAAVSDIRDFTESKFRSVLEEPMYTDGEGDRNKVT
RLLLTSGKIYYELAARKAKENREDVAIVRIEQLAPLPRRRLAETLDRYPN
VKEKFWVQEEPANQGAWPSFGLTLPEILPDHFTGLKRISRRAMSAPSSGS
SKVHAVEQQEILDTAFG

3D structure

• PDB: 2xta Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism.
• Chain: C
• Resolution: 2.2 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	TPP	C	R540 S604 L606 G644 D645 A646 A647 N678 I680 H747	R160 S210 L212 G250 D251 A252 A253 N284 I286 H353
BS02	MG	C	D645 N678 I680	D251 N284 I286
BS03	CA	C	D1004 H1055 D1058 I1060	D594 H645 D648 I650
BS04	ACO	C	T1038 R1054 K1089 S1092 Q1142 P1147 R1149 R1150	T628 R644 K679 S682 Q732 P737 R739 R740
BS05	TPP	C	Q901 L950 E952 Q976 F980	Q491 L540 E542 Q566 F570

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:2xta, PDBe:2xta, PDBj:2xta
• PDBsum: 2xta
• PubMed: 21867916
• UniProt: A0R2B1|KGD_MYCS2 Multifunctional 2-oxoglutarate metabolism enzyme (Gene Name=kgd)