Structure of PDB 1ari Chain A Binding Site BS01
Receptor Information
>1ari Chain A (length=396) Species:
562
(Escherichia coli) [
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MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK
KAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQT
PGGTGALRVAADFLAKNTSVKRVWVSNPSHPNHKSVFNSAGLEVREYAYY
DAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQL
SVEKGWLPLFDFAYQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGL
YNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSN
DALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSF
SGLTKEQVLRLREEFGVYAVASGRVNVAGMTPDNMAPLCEAIVAVL
Ligand information
Ligand ID
PLP
InChI
InChI=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)
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04
O=P(O)(O)OCc1cnc(c(O)c1C=O)C
Formula
C8 H10 N O6 P
Name
PYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBL
CHEMBL82202
DrugBank
DB00114
ZINC
ZINC000001532514
PDB chain
1ari Chain A Residue 410 [
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Receptor-Ligand Complex Structure
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PDB
1ari
Substitution of apolar residues in the active site of aspartate aminotransferase by histidine. Effects on reaction and substrate specificity.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
G108 T109 D222 Y225 S255 S257 K258 R266
Binding residue
(residue number reindexed from 1)
G103 T104 D211 Y214 S243 S245 K246 R254
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H140 D222 A224 K258
Catalytic site (residue number reindexed from 1)
H130 D211 A213 K246
Enzyme Commision number
2.6.1.1
: aspartate transaminase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0004069
L-aspartate:2-oxoglutarate aminotransferase activity
GO:0004838
L-tyrosine-2-oxoglutarate transaminase activity
GO:0008483
transaminase activity
GO:0030170
pyridoxal phosphate binding
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
Biological Process
GO:0006520
amino acid metabolic process
GO:0009058
biosynthetic process
GO:0009094
L-phenylalanine biosynthetic process
GO:0033585
L-phenylalanine biosynthetic process from chorismate via phenylpyruvate
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1ari
,
PDBe:1ari
,
PDBj:1ari
PDBsum
1ari
PubMed
7851426
UniProt
P00509
|AAT_ECOLI Aspartate aminotransferase (Gene Name=aspC)
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