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BioLiP

Structure of PDB 9j0v Chain A Binding Site BS01

Receptor Information
>9j0v Chain A (length=246) Species: 28223 (Desulfobacula toluolica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAIYEVMQVRQGIPLFFEAHLERFVMSASLVGTRIPKKEAEILHNIADLV
EKNKCDHGNVKLVSALMNEKEIFLAYFIPAEFLDSKARLEGVHTILFSGE
RICPNIKTIKGSFREQVKAVRESSNAYEALLVNESGHITEGSRSNVFFMG
KDNKLYTSPAGSVLKGVTRTHVMQICSRLGLEVLEKTVHTRNLADIQGAF
ITGTTVDVTPVRSIGNTQLDSPNIPLIRKIVAEYEKKIAGYVSKRL
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 chain9j0v Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9j0v High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
Resolution1.79 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 score4
External links

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