Structure of PDB 9j0v Chain A Binding Site BS01
Receptor Information
>9j0v Chain A (length=246) Species:
28223
(Desulfobacula toluolica) [
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TAIYEVMQVRQGIPLFFEAHLERFVMSASLVGTRIPKKEAEILHNIADLV
EKNKCDHGNVKLVSALMNEKEIFLAYFIPAEFLDSKARLEGVHTILFSGE
RICPNIKTIKGSFREQVKAVRESSNAYEALLVNESGHITEGSRSNVFFMG
KDNKLYTSPAGSVLKGVTRTHVMQICSRLGLEVLEKTVHTRNLADIQGAF
ITGTTVDVTPVRSIGNTQLDSPNIPLIRKIVAEYEKKIAGYVSKRL
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
9j0v Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
9j0v
High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
Resolution
1.79 Å
Binding residue
(original residue number in PDB)
R53 R131 K137 E170 R173 S174 N175 L194 G196 V197 T198 T234
Binding residue
(residue number reindexed from 1)
R23 R101 K107 E140 R143 S144 N145 L164 G166 V167 T168 T204
Annotation score
4
External links
PDB
RCSB:9j0v
,
PDBe:9j0v
,
PDBj:9j0v
PDBsum
9j0v
PubMed
UniProt
K0NPP0
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