Structure of PDB 3ly1 Chain A Binding Site BS01

Receptor Information
>3ly1 Chain A (length=346) Species: 29471 (Pectobacterium atrosepticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFTAPSTDNPIRINFNENPLGMSPKAQAAARDAVVKANRYAKNEILMLGN
KLAAHHQVEAPSILLTAGSSEGIRAAIEAYASLEAQLVIPELTYGDGEHF
AKIAGMKVTKVKMLDNWAFDIEGLKAAVAAYSGPSIVYLVNPNNPTGTIT
PADVIEPWIASKPANTMFIVDEAYAEFVNDPRFRSISPMITQGAENIILL
KTFSKIHAMAGMRVGYAVAHPTVIALMGRYVAGEKINFSGVDAALASMND
SAFITYSKKSNDVSRQILLKALEDLKLPYLPSEGNFVFHQLVVPLKDYQT
HMADAGVLIGRAFPPADNWCRISLGTPQEMQWVADTMREFRKKSWI
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 chain3ly1 Chain A Residue 500 [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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PDB3ly1 Crystal structure of Putative histidinol-phosphate aminotransferase (YP_050345.1) from Erwinia carotovora atroseptica SCRI1043 at 1.80 A resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)
G116 S117 S118 Y142 D219 Y222 T250 S252 K253 R261
Binding residue
(residue number reindexed from 1)
G68 S69 S70 Y94 D171 Y174 T202 S204 K205 R213
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function

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Biological Process
External links
PDB RCSB:3ly1, PDBe:3ly1, PDBj:3ly1
PDBsum3ly1
PubMed
UniProtQ6D4Z0

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