Structure of PDB 2ykv Chain A Binding Site BS01

Receptor Information
>2ykv Chain A (length=432) 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
GMYALSLEIADAGRDAFAEALADFIGEQRALL
Ligand information
Ligand IDIK2
InChIInChI=1S/C10H15N2O8P/c1-6-10(15)8(3-12-19-5-9(13)14)7(2-11-6)4-20-21(16,17)18/h2,12,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChIKeyQYKRUCBLHROXCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNOCC(O)=O)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNOCC(=O)O)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O
FormulaC10 H15 N2 O8 P
Name4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE
ChEMBL
DrugBankDB02783
ZINCZINC000002047479
PDB chain2ykv Chain A Residue 1445 [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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PDB2ykv Structural Determinants of the Beta-Selectivity of a Bacterial Aminotransferase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R54 S144 G145 T146 Y172 H173 E220 D253 V255 M256 K280
Binding residue
(residue number reindexed from 1)		R42 S132 G133 T134 Y160 H161 E208 D241 V243 M244 K268
Annotation score1
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:2ykv, PDBe:2ykv, PDBj:2ykv
PDBsum2ykv
PubMed22745123
UniProtA3EYF7

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