Structure of PDB 5g4i Chain A Binding Site BS01

Receptor Information
>5g4i Chain A (length=423) Species: 290340 (Paenarthrobacter aurescens TC1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLLARRYATIGPHSPLFYRQPLELVSGSGVWLTDAQGKVYLDGYNNVPHV
GHANPAVADAIYQQLLTVNLHTRYLNSRVVEYAEALLSKFDGALERLFLT
NSGSEANELALRIARQHTGNTGVLVSDFSYHGNTTSLAEITTGLTVHEPL
GAHVRALRIPDVSGIAEVDVPVLLEQSLADVDAAIASLQAAGHGVSVFLF
DPLFSTEGLLQLPSGYIEGVATRVRAAGGLVISDEVQSGFGRTGSGMWGY
QMFNVEPELVTMGKPMGNGHPIGAVVTTAELLDEFGRHNMFFNTFAGNPV
SSAAGLAVLRYMDQEDLMAKADQLGKYIRKRLENIAQRSGNVGSVRGRGL
FFGIDIIESDGSRNPAPALTKILIEDMRERGVLISRVGPHDNVLKMRPPL
VFGREHADILLGQLELSLASLPQ
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 chain5g4i Chain A Residue 1441 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g4i Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G120 S121 H148 D251 V253 Q254 K281
Binding residue
(residue number reindexed from 1)		G103 S104 H131 D234 V236 Q237 K264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S31 Y147 D218 D251 Q254 K281 T311 K412
Catalytic site (residue number reindexed from 1) S14 Y130 D201 D234 Q237 K264 T294 K395
Enzyme Commision number 4.2.3.2: ethanolamine-phosphate phospho-lyase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:5g4i, PDBe:5g4i, PDBj:5g4i
PDBsum5g4i
PubMed27709756
UniProtA1RDF1

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