Structure of PDB 2yku Chain A Binding Site BS01

Receptor Information
>2yku Chain A (length=433) Species: 398267 (Mesorhizobium sp. LUK) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASDTAEKAQAIAAARNTFARDNPVSAGHHERARRSMPGGNTRSILFHRPF
PLVIAQGTGSRFQDVDGHAYVNFLGEYTAGLFGHSHPVIRAAVERALAVG
LNLSTQTENEALFAEAVCDRFPSIDLVRFTNSGTEANLMALATATAITGR
KTVLAFDGGYHGGLLNFASGHAPTNAPYHVVLGVYNDVEGTADLLKRHGH
DCAAILVEPMLGAGGCVPAERAFLDLLRAEASRCGALLIFDEVMTSRLSG
GGAQEMLGISADLTTLGKYIGGGMSFGAFGGRRDLMERFDPARDGAFAHA
GTFNNNILTMSAGHAALTQIYTRQAASDLSASGDRFRANLNRIAVENQAP
LQFTGLGSLGTIHFSRAPIRSAGDVRAADQQLKELFFFHMLRKGIYLAPR
GMYALSLEIADAGRDAFAEALADFIGEQRALLM
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 chain2yku 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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PDB2yku Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase.
Resolution1.9 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)		S132 G133 T134 Y160 H161 G162 E208 D241 V243 M244 K268
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) N40 Y160 E208 D241 M244 K268 A404
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:2yku, PDBe:2yku, PDBj:2yku
PDBsum2yku
PubMed22745123
UniProtA3EYF7

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