Structure of PDB 9aue Chain A Binding Site BS01

Receptor Information
>9aue Chain A (length=415) Species: 1877 (Micromonospora echinospora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMIIANADGCTPYEVARGVTIVRGEGAYVYDAEGRGLIDLSNSFGSVMLG
HQDPVVTEAVLKTVRSGVPAAASLDLQNHLAEQIAGDLPGDQRVAFFKTG
TAATRAAASAARQVTGKRLIASCGYHGYDLMWEFTPPGQPNSEDVLHCYH
LPELIDQVLDKHAHELAAVIIAPDYIHVSPEYIADLFERCERVGVVTIAD
EVKHGYRLRQGASVTEASVVADMYTYAKGISNGWPLSCVAGDERFLKPLA
EFVSTLTFEAPSFAAASATLDRLAELDVQAQLAIDGARFVSEAAKMISTR
DLPIEMAGTGAAFQFVCAEEVEEVLLPHALAEGLILEPSDQQYPSACFRG
EVVDDALERLDRALTTMAAARPDLVGREVTQLDRVNAAFCQMDGLPGRPD
GWSLDQCVEYVTAQL
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain9aue Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9aue Structural and Functional Basis of GenB2 Isomerase Activity from Gentamicin Biosynthesis.
Resolution1.46 Å
Binding residue
(original residue number in PDB)		G99 T100 Y124 H125 D199 V201
Binding residue
(residue number reindexed from 1)		G100 T101 Y125 H126 D200 V202
Annotation score4
External links