Structure of PDB 1umd Chain C

Receptor sequence

>1umdC (length=361) Species: 274 (Thermus thermophilus)

HRFETFTEEPIRLIGEEGEWLGDFPLDLEGEKLRRLYRDMLAARMLDERY
TILIRTGKTSFIAPAAGHEAAQVAIAHAIRPGFDWVFPYYRDHGLALALG
IPLKELLGQMLATKADPNKGRQMPEHPGSKALNFFTVASPIASHVPPAAG
AAISMKLLRTGQVAVCTFGDGATSEGDWYAGINFAAVQGAPAVFIAENNF
YAISVDYRHQTHSPTIADKAHAFGIPGYLVDGMDVLASYYVVKEAVERAR
RGEGPSLVELRVYRYGPHSSADDDSRYRPKEEVAFWRKKDPIPRFRRFLE
ARGLWNEEWEEDVREEIRAELERGLKEAEEAGPVPPEWMFEDVFAEKPWH
LLRQEALLKEE

3D structure

• PDB: 1umd Ligand-induced Conformational Changes and a Reaction Intermediate in Branched-chain 2-Oxo Acid Dehydrogenase (E1) from Thermus thermophilus HB8, as Revealed by X-ray Crystallography
• Chain: C
• Resolution: 1.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): I57 S144 R269 H273 S274 Y282
• Catalytic site (residue number reindexed from 1): I52 S139 R264 H268 S269 Y277
• Enzyme Commision number: 1.2.4.4: 3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring).

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	MG	C	D175 N204 Y206	D170 N199 Y201
BS02	TPP	C	Y94 Y95 R96 I146 G174 D175 G176 N204 Y206 A207 I208 H273	Y89 Y90 R91 I141 G169 D170 G171 N199 Y201 A202 I203 H268
BS03	COI	C	F66 S144	F61 S139

Gene Ontology

Molecular Function

• GO:0003863 3-methyl-2-oxobutanoate dehydrogenase (2-methylpropanoyl-transferring) activity
• GO:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0016624 oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
• GO:0046872 metal ion binding

Biological Process

• GO:0009083 branched-chain amino acid catabolic process

External links

• PDB: RCSB:1umd, PDBe:1umd, PDBj:1umd
• PDBsum: 1umd
• PubMed: 15033367
• UniProt: Q5SLR4|ODBA_THET8 2-oxoisovalerate dehydrogenase subunit alpha (Gene Name=TTHA0229)