Structure of PDB 4ife Chain A Binding Site BS01

Receptor Information
>4ife Chain A (length=434) Species: 10761 (Lederbergvirus Sf6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INPIFEPFIEAHRYKVAKGGRGSGKSWAIARLLVEAARRQPVRILCAREL
QNSISDSVIRLLEDTIEREGYSAEFEIQRSMIRHLGTNAEFMFYGIKNNP
TKIKSLEGIDICWVEEAEAVTKESWDILIPTIRKPFSEIWVSFNPKNILD
DTYQRFVVNPPDDICLLTVNYTDNPHFPEVLRLEMEECKRRNPTLYRHIW
LGEPVSASDMAIIKREWLEAATDAHKKLGWKAKGAVVSAHDPSDTGPDAK
GYASRHGSVVKRIAEGLLMDINEGADWATSLAIEDGADHYLWDGDGVGAG
LRRQTTEAFSGKKITATMFKGSESPFDEDAPYQRTIGDVFRNKRAQFYYA
LADRLYLTYRAVVHGEYADPDDMLSFDKEAIGEKMLEKLFAELTQIQRKF
NNNGKLELMTKVEMKQKLGIPSPNLADALMMCMH
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 chain4ife Chain A Residue 800 [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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PDB4ife Structures of the phage Sf6 large terminase provide new insights into DNA translocation and cleavage.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		G25 G27 K28 S29 W30 N147 N177 H179 P181
Binding residue
(residue number reindexed from 1)		G22 G24 K25 S26 W27 N144 N174 H176 P178
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4ife, PDBe:4ife, PDBj:4ife
PDBsum4ife
PubMed23630261
UniProtQ716H3

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