Structure of PDB 2zbv Chain C Binding Site BS01

Receptor Information
>2zbv Chain C (length=260) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIGFLTDWGLKSHYVGVAKAVIKRINPSAEIIDITHEVEPFNVRKASHVL
YRASLDFPPSTVFLVVVDYGVGTSRKAIVMKTKNDQYFVAPDNGVLTVVA
EEYGVAEIREIENRELFYKKNPSFTFHGRDIFAPVAAHLDMGLPLERVGD
RLLSYEVLKMRKPVVEKVIGEVAIVDTFGNVSTNIPFDLFLKLSVDFDDV
VRVRVGRKEFKAAVAKAFGDVDTGELLVHPDSAGFLEIAVNLGDASQVLS
VKEGDEIEIC
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain2zbv Chain B Residue 502 [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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PDB2zbv Crystal structure of uncharacterized conserved protein from Thermotoga maritima
Resolution2.05 Å
Binding residue
(original residue number in PDB)
F180 N182 F220 L244
Binding residue
(residue number reindexed from 1)
F178 N180 F218 L242
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links