Structure of PDB 2zbv Chain A Binding Site BS01

Receptor Information
>2zbv Chain A (length=263) 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
RLLSYEVLKMRKPVVENEKVIGEVAIVDTFGNVSTNIPFDLFLKLSVDFD
DVVRVRVGRKEFKAAVAKAFGDVDTGELLVHPDSAGFLEIAVNLGDASQV
LSVKEGDEIEICR
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 A Residue 501 [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)		D7 W8 F41 V67 D68 Y69 T125
Binding residue
(residue number reindexed from 1)		D7 W8 F41 V67 D68 Y69 T125
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links