Structure of PDB 1arh Chain B Binding Site BS01
Receptor Information
>1arh Chain B (length=396) Species:
562
(Escherichia coli) [
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MFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK
KAEQYLLENETTKNYLGIDGIPEFGRCTQELLFGKGSALINDKRARTAQT
PGGTGALRVAADFLAKNTSVKRVWVSNPSWPNHKSVFNSAGLEVREYAYY
DAENHTLDFDALINSLNEAQAGDVVLFHGCCHNPTGIDPTLEQWQTLAQL
SVEKGWLPLFDFARQGFARGLEEDAEGLRAFAAMHKELIVASSYSKNFGL
YNERVGACTLVAADSETVDRAFSQMKAAIRANYSNPPAHGASVVATILSN
DALRAIWEQELTDMRQRIQRMRQLFVNTLQEKGANRDFSFIIKQNGMFSF
SGLTKEQVLRLREEFGVYAVASGAVNVAGMTPDNMAPLCEAIVAVL
Ligand information
Ligand ID
PPD
InChI
InChI=1S/C12H17N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3,9,14,17H,2,4-5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/t9-/m0/s1
InChIKey
UKHLSCZNRCHWTM-VIFPVBQESA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CC(O)=O)C(O)=O)c1O
ACDLabs 10.04
O=C(O)CC(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
CACTVS 3.341
Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CC(O)=O)C(O)=O)c1O
OpenEye OEToolkits 1.5.0
Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CC(=O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O
Formula
C12 H17 N2 O9 P
Name
2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID;
PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE
ChEMBL
DrugBank
ZINC
ZINC000015278583
PDB chain
1arh Chain A Residue 411 [
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Receptor-Ligand Complex Structure
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PDB
1arh
Changing the reaction specificity of a pyridoxal-5'-phosphate-dependent enzyme.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
Y70 R292
Binding residue
(residue number reindexed from 1)
Y65 R280
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
W140 D222 A224 K258
Catalytic site (residue number reindexed from 1)
W130 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:1arh
,
PDBe:1arh
,
PDBj:1arh
PDBsum
1arh
PubMed
7556224
UniProt
P00509
|AAT_ECOLI Aspartate aminotransferase (Gene Name=aspC)
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