Structure of PDB 2ykx Chain A Binding Site BS01

Receptor Information
>2ykx Chain A (length=431) Species: 398267 (Mesorhizobium sp. LUK) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDTAEKAQAIAAARNTFARDNPVSAGHHERARRSMPGGNTRSILFHRPFP
LVIAQGTGSRFQDVDGHAYVNFLGEYTAGLFGHSHPVIRAAVERALAVGL
NLSTQTENEALFAEAVCDRFPSIDLVRFTNSGTEANLMALATATAITGRK
TVLAFDGGYHGGLLNFASGHAPTNAPYHVVLGVYNDVEGTADLLKRHGHD
CAAILVEPMLGAGGCVPAERAFLDLLRAEASRCGALLIFDEVMTSRLSGG
GAQEMLGISADLTTLGKYIGGGMSFGAFGGRRDLMERFDPARDGAFAHAG
TFNNNILTMSAGHAALTQIYTRQAASDLSASGDRFRANLNRIAVENQAPL
QFTGLGSLGTIHFSRAPIRSAGDVRAADQQLKELFFFHMLRKGIYLAPRG
MYALSLEIADAGRDAFAEALADFIGEQRALL
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 chain2ykx Chain A Residue 1280 [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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PDB2ykx Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		S144 G145 T146 Y172 H173 G174 E220 D253 V255 M256 K280
Binding residue
(residue number reindexed from 1)		S131 G132 T133 Y159 H160 G161 E207 D240 V242 M243 K267
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N52 Y172 E220 D253 M256 K280 A416
Catalytic site (residue number reindexed from 1) N39 Y159 E207 D240 M243 K267 A403
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:2ykx, PDBe:2ykx, PDBj:2ykx
PDBsum2ykx
PubMed22745123
UniProtA3EYF7

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