Structure of PDB 2y0p Chain A

Receptor sequence

>2y0pA (length=847) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

DSIEDKNARVIELIAAYRNRGHLMADIDPLRLDLTLWDLDREFKVDVQRK
KLRDILSVLRDAYCRHVGVEYTHILEPEQQRWIQERVETKHDKPTVAEQK
YILSKLNAAEAFETFLQTKYVGQKRFSLEGAETVIPMMDAVIDQCAEHGL
DEVVIAMPHRGRLNVLANIVGKPYSQIFSEFEGNLNPSQAHGSGDVKYHL
GATGTYIQMFGDNDIEVSLTANPSHLEAVDPVLEGLVRAKQDLLDTGEEG
SDNRFSVVPLMLHGDAAFAGQGVVAETLNLALLRGYRTGGTIHIVVNNQI
GFTTAPTDSRSSEYCTDVAKMIGAPIFHVNGDDPEACAWVARLAVDFRQA
FKKDVVIDMLCYRRRGHNEGDDPSMTQPYMYDVIDTKRGSRKAYTEALIG
RGDISMKEAEDALRDYQGQLERVFNEVRELEKHEIEPSESVEADQQIPSK
LATAVDKAMLQRIGDAHLALPEGFTVHPRVRPVLEKRREMAYEGRIDWAF
AELLALGSLIAEGKLVRLSGQDTQRGTFTQRHAVIVDRKTGEEFTPLQLL
ATNPDGTPTGGKFLVYNSALSEFAAVGFEYGYSVGNPDAMVLWEAQFGDF
VNGAQSIIDEFISSGEAKWGQLSDVVLLLPHGHEGQGPDHTSGRIERFLQ
LWAEGSMTIAMPSTPANYFHLLRRHGKDGIQRPLIVFTPKSMLRNKAAVS
DIRDFTESKFRSVLEEPMYTDGEGDRNKVTRLLLTSGKIYYELAARKAKE
NREDVAIVRIEQLAPLPRRRLAETLDRYPNVKEKFWVQEEPANQGAWPSF
GLTLPEILPDHFTGLKRISRRAMSAPSSGSSKVHAVEQQEILDTAFG

3D structure

• PDB: 2y0p Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism.
• Chain: A
• Resolution: 2.4 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	TD7	A	F506 H539 R540 Y578 H579 S604 L606 G644 D645 A646 A647 N678 I680 H747	F126 H159 R160 Y198 H199 S224 L226 G264 D265 A266 A267 N298 I300 H367
BS02	MG	A	D645 N678 I680	D265 N298 I300
BS03	ACO	A	E822 I827 G1035 T1038 R1054 R1062 S1092 Q1142 P1145 L1146 P1147 R1149 R1150	E442 I447 G655 T658 R674 R682 S712 Q762 P765 L766 P767 R769 R770
BS04	TD7	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:2y0p, PDBe:2y0p, PDBj:2y0p
• PDBsum: 2y0p
• PubMed: 21867916
• UniProt: A0R2B1|KGD_MYCS2 Multifunctional 2-oxoglutarate metabolism enzyme (Gene Name=kgd)