Structure of PDB 3qtb Chain A Binding Site BS01

Receptor Information
>3qtb Chain A (length=125) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIYMPIVVAVDKKSDRAERVLRFAAEEARLRGVPVYVVHSLPGGGRTKDE
DIIEAKETLSWAVSIIRKEGAEGEEHLLVRGKEPPDDIVDFADEVDAIAI
VIGIRFGSVARDVILKANKPVICIK
Ligand information
Ligand IDD5M
InChIInChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKeyKHWCHTKSEGGWEX-RRKCRQDMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
FormulaC10 H14 N5 O6 P
Name2'-DEOXYADENOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL1206239
DrugBank
ZINCZINC000001713574
PDB chain3qtb Chain A Residue 135 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qtb Structural and functional insight into the universal stress protein family.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V10 D11 H39 S40 P84 G103 G116 V118 A119
Binding residue
(residue number reindexed from 1)		V10 D11 H39 S40 P84 G103 G107 V109 A110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links