Structure of PDB 5k1r Chain A Binding Site BS01

Receptor Information
>5k1r Chain A (length=439) Species: 272560 (Burkholderia pseudomallei K96243) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYPYAAEFGALHEFPERGMPRERLLEELRSMAVREDRKWESGRCSGTMYC
GDHEHYAFLNEAYGLFSHVNALQRDLCPSMNRMESEIVAMTVALLHGEAV
QRHDGAHRACGALSLGGTESILNATLAYREKARAERGIERPRMIWPASAH
PAFRKAAHLFGFDVTVAPIDPVTMQVDADFVRDAVDANTVMLVGSACNYP
YGTIDPIGALSAIAVEKDVWLHVDGCLGGWMLPWGEALGYPDIPAFDFRL
PGVTSISADTHKFGYGPKGGSVLAWRDASFRRHQYFLMTDWVGGVYGSPG
LTGSRSGGLIAATWAALRSLGREGYLARAKAIFETAFDMQAAVRAIPELR
VLGKPTFCFAFTSDAFDIYHVNDFMRQRGWRFNGLQHPDALHMCVTGPQT
QPGVAERFRQDLGEAVEHARHARARAFFTQVLDLFTDCP
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 chain5k1r Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k1r Characterization of homologous sphingosine-1-phosphate lyase isoforms in the bacterial pathogen Burkholderia pseudomallei.
Resolution2.104 Å
Binding residue
(original residue number in PDB)		G126 T127 H159 D233 C235 K271
Binding residue
(residue number reindexed from 1)		G117 T118 H150 D224 C226 K262
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008117 sphinganine-1-phosphate aldolase activity
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:0030149 sphingolipid catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5k1r, PDBe:5k1r, PDBj:5k1r
PDBsum5k1r
PubMed27784725
UniProtQ63IP8

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