Structure of PDB 5cm0 Chain C Binding Site BS01

Receptor Information
>5cm0 Chain C (length=280) Species: 565033 (Geoglobus acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELLVYMNGEFVPESQAKVSVFDHGFLYGDGVFEGIRAYNGKVFKLYEHID
RLYDCARVIDLKIPLSKEEFAEAILETLRRNNLRDAYIRPIVTRGAGDLG
LDPRKCPSPNVIIITKPWKGLKAITVAIRRNAIDSLPPNIKSLNYLNNIL
AKIEANAKGGDEAIFLDHNGYISEGSGDNIFIVKNGTITTPPTLNNLKGI
TRQVVIELINELEIPFREANIGLFDLYSADEIFVTGTAAEIAPVTYIDGR
TVGNGKPGKVTKMLMEKFRERTENEGVEIY
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5cm0 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cm0 Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R53 K152 Y156 E185 G188 L208 G210 I211 T212 T248
Binding residue
(residue number reindexed from 1)		R51 K141 Y145 E174 G177 L197 G199 I200 T201 T237
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F34 G36 K152 E185 L208
Catalytic site (residue number reindexed from 1) F32 G34 K141 E174 L197
Enzyme Commision number 2.6.1.42: branched-chain-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004084 branched-chain-amino-acid transaminase activity
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:0008652 amino acid biosynthetic process
GO:0009081 branched-chain amino acid metabolic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009098 L-leucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5cm0, PDBe:5cm0, PDBj:5cm0
PDBsum5cm0
PubMed30733943
UniProtA0A0A7GJ30

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