Structure of PDB 5hne Chain B

Receptor sequence
>5hneB (length=358) Species: 9606 (Homo sapiens) [Search protein sequence]
SSFKAADLQLEMTQKPHKKPLVFGKTFTDHMLMVEWNDKGWGQPRIQPFQ
NLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRL
CLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQ
PTRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNY
GPTVLVQQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELV
TPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVRE
VFGSGTACQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKEIQYGIR
AHEWMFPV
3D structure
PDB5hne Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
ChainB
Resolution2.04 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) K202
Catalytic site (residue number reindexed from 1) K195
Enzyme Commision number 2.6.1.42: branched-chain-amino-acid transaminase.
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 PLP B R99 K202 Y207 E237 T240 N242 L266 G268 V269 V270 G312 T313 R92 K195 Y200 E230 T233 N235 L259 G261 V262 V263 G305 T306
BS02 EL2 B F30 F75 K79 Q224 V238 G239 T240 M241 A314 C318 F23 F68 K72 Q217 V231 G232 T233 M234 A307 C311 MOAD: ic50=50nM
BindingDB: IC50=100nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004084 branched-chain-amino-acid transaminase activity
GO:0005515 protein binding
GO:0008483 transaminase activity
GO:0052654 L-leucine-2-oxoglutarate transaminase activity
GO:0052655 L-valine-2-oxoglutarate transaminase activity
GO:0052656 L-isoleucine-2-oxoglutarate transaminase activity
Biological Process
GO:0006549 isoleucine metabolic process
GO:0006550 isoleucine catabolic process
GO:0006551 L-leucine metabolic process
GO:0006573 valine metabolic process
GO:0006629 lipid metabolic process
GO:0008652 amino acid biosynthetic process
GO:0009081 branched-chain amino acid metabolic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009083 branched-chain amino acid catabolic process
GO:0009098 L-leucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0010817 regulation of hormone levels
GO:1990830 cellular response to leukemia inhibitory factor
Cellular Component
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5hne, PDBe:5hne, PDBj:5hne
PDBsum5hne
PubMed27096045
UniProtO15382|BCAT2_HUMAN Branched-chain-amino-acid aminotransferase, mitochondrial (Gene Name=BCAT2)

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