Structure of PDB 5mr0 Chain C Binding Site BS01

Receptor Information
>5mr0 Chain C (length=286) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLYVYMDGEFVPENEAKVSIFDHGFLYGDGVFEGIRAYNGRVFRLKEHID
RLYDSAKAIDLEIPITKEEFMEIILETLRKNNLRDAYIRPIVTRGIGDLG
LDPRKCQNPSIIVITKPWGDLYEKGLTAITVAVRRNSFDALPPNIKSLNY
LNNILAKIEANAKGGDEAIFLDRNGYVSEGSGDNIFVVKNGAITTPPTIN
NLRGITREAVIEIINRLGIPFKETNIGLYDLYTADEVFVTGTAAEIAPIV
VIDGRKIGDGKPGEITRKLMEEFSKLTESEGVPIYE
Ligand information
Ligand IDPXG
InChIInChI=1S/C15H17N2O7P/c1-9-14(18)13(11(6-16-9)8-24-25(21,22)23)7-17-12-4-2-3-10(5-12)15(19)20/h2-6,17-18H,7-8H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyWSOQXCGRIUHULI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cc(ccc1)NCc2c(cnc(c2O)C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNc2cccc(c2)C(O)=O)c1O
FormulaC15 H17 N2 O7 P
Name3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID
ChEMBL
DrugBank
ZINC
PDB chain5mr0 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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PDB5mr0 Thermostable Branched-Chain Amino Acid Transaminases From the ArchaeaGeoglobus acetivoransandArchaeoglobus fulgidus: Biochemical and Structural Characterization.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		R51 K150 Y154 E183 G186 D187 L206 G208 I209 T210 G245 T246
Binding residue
(residue number reindexed from 1)		R51 K146 Y150 E179 G182 D183 L202 G204 I205 T206 G241 T242
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F32 G34 K150 E183 L206
Catalytic site (residue number reindexed from 1) F32 G34 K146 E179 L202
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5mr0, PDBe:5mr0, PDBj:5mr0
PDBsum5mr0
PubMed30733943
UniProtO29329|ILVE_ARCFU Putative branched-chain-amino-acid aminotransferase (Gene Name=ilvE)

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