Structure of PDB 2o0h Chain A Binding Site BS01

Receptor Information
>2o0h Chain A (length=357) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQPINVLNDFHPLNEAGKILIKHPSLAERKDEDGIHWIKSQWDGKWYPE
KFSDYLRLHKIVKIPNNSDKPELFQTYKDKNNKRSRYMGLPNLKRANIKT
QWTREMVEEWKKCRDDIVYFAETYCAITHIDYGVIKVQLRDYQRDMLKIM
SSKRMTVCNLSRQLGKTTVVAIFLAHFVCFNKDKAVGILAHKGSMSAEVL
DRTKQAIELLPDFLQPGIVEWNKGSIELDNGSSIGAYASSPDAVRGNSFA
MIYIEDCAFIPNFHDSWLAIQPVISSGRRSKIIITTTPNGLNHFYDIWTA
AVEGKSGFEPYTAIWNSVKERLYNDEDIFDDGWQWSIQTINGSSLAQFRQ
EHTAAFE
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain2o0h Chain A Residue 400 [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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PDB2o0h The Structure of the ATPase that Powers DNA Packaging into Bacteriophage T4 Procapsids
Resolution1.88 Å
Binding residue
(original residue number in PDB)		Q143 Q163 G165 K166 T167 T168 R202
Binding residue
(residue number reindexed from 1)		Q143 Q163 G165 K166 T167 T168 R202
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.-
3.6.4.-
External links
PDB RCSB:2o0h, PDBe:2o0h, PDBj:2o0h
PDBsum2o0h
PubMed17386269
UniProtP17312|TERL_BPT4 Terminase, large subunit (Gene Name=17)

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