Structure of PDB 2eh6 Chain A Binding Site BS01

Receptor Information
>2eh6 Chain A (length=375) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYLMNNYARLPVKFVRGKGVYLYDEEGKEYLDFVSGIGVNSLGHAYPKLT
EALKEQVEKLLHVSNLYENPWQEELAHKLVKHFWTEGKVFFANSGTESVE
AAIKLARKYWRDKGKNKWKFISFENSFHGRTYGSLSATGQPKFHKGFEPL
VPGFSYAKLNDIDSVYKLLDEETAGIIIEVIQGEGGVNEASEDFLSKLQE
ICKEKDVLLIIDEVQTGIGRTGEFYAYQHFNLKPDVIALAKGLGGGVPIG
AILAREEVAQSFTPGSHGSTFGGNPLACRAGTVVVDEVEKLLPHVREVGN
YFKEKLKELGKGKVKGRGLMLGLELERECKDYVLKALEKGLLINCTAGKV
LRFLPPLIIQKEHIDRAISVLREIL
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 chain2eh6 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eh6 Crystal structure of acetylornithine aminotransferase from Aquifex aeolicus VF5
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G95 T96 F127 H128 E179 D212 V214 K241
Binding residue
(residue number reindexed from 1)		G95 T96 F127 H128 E179 D212 V214 K241
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F127 E179 D212 Q215 K241 T270 R352
Catalytic site (residue number reindexed from 1) F127 E179 D212 Q215 K241 T270 R352
Enzyme Commision number 2.6.1.11: acetylornithine transaminase.
Gene Ontology
Molecular Function
GO:0003992 N2-acetyl-L-ornithine:2-oxoglutarate 5-aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0006525 arginine metabolic process
GO:0006526 L-arginine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2eh6, PDBe:2eh6, PDBj:2eh6
PDBsum2eh6
PubMed
UniProtO66442|ARGD_AQUAE Acetylornithine aminotransferase (Gene Name=argD)

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