Structure of PDB 3suc Chain A Binding Site BS02

Receptor Information
>3suc Chain A (length=767) Species: 10756 (Salasvirus phi29) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HFADLVIQVIDELKQFGVSVKTYGAKGDGVTDDIRAFEKAIESGFPVYVP
YGTFMVSRGIKLPSNTVLTGAGKRNAVIRFMDSVGRGESLMYNENVTTGN
ENIFLSSFTLDGNNKRLGQGISGIGGSRESNLSIRACHNVYIRDIEAVDC
TLHGIDITCGGLDYPYLGDGTTAPNPSENIWIENCEATGFGDDGITTHHS
QYINILNCYSHDPRLTANCNGFEIDDGSRHVVLSNNRSKGCYGGIEIKAH
GDAPAAYNISINGHMSVEDVRSYNFRHIGHHAATAPQSVSAKNIVASNLV
SIRPNNKRGFQDNATPRVLAVSAYYGVVINGLTGYTDDPNLLTETVVSVQ
FRARNCSLNGVVLTGFSNSENGIYVIGGSRGGDAVNISNVTLNNSGRYGV
SIGSGIENVSITNISGIGDGINSPVALVSTINSNPEISGLSSIGYPTVAR
VAGTDYNDGLTLFNGAFRASTTSSGKIHSEGFIMGSTSGCEASVSKSGVL
TSSSSKTSSERSLIAGSSTSEAKGTYNTILGSLGAVADEQFAALISASQS
RASGNHNLILSSYGINTTGSYKVNGGFEKINWELDSLNGRIKARDTVTGG
NTWSDFAQYFESLGGQVIETGYLVTLEKGKIRKAEKGEKIIGVISETAGF
VLGESSFEWQGAVLKNEFGGIIYEEVTTEDGVKFKRPLPNPDFDPNKNYI
PRSQRREWHVVGLLGQIAVRIDETVKQGHSIDAVGGVATDGDNFIVQEIT
TPYTKEKGYGVAIVLVK
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 chain3suc Chain A Residue 856 [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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PDB3suc Crystallographic Insights Into the Autocatalytic Assembly Mechanism of a Bacteriophage Tail Spike
Resolution2.15 Å
Binding residue
(original residue number in PDB)		W746 Q747 F780 D781 K784 N785 Y786 I787 R789 R792 W795
Binding residue
(residue number reindexed from 1)		W659 Q660 F693 D694 K697 N698 Y699 I700 R702 R705 W708
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0019058 viral life cycle
GO:0019062 virion attachment to host cell
GO:0046718 symbiont entry into host cell
GO:0051701 biological process involved in interaction with host
GO:0098671 adhesion receptor-mediated virion attachment to host cell
GO:0098994 symbiont entry into host cell via disruption of host cell envelope
Cellular Component
GO:0098015 virus tail
GO:0098024 virus tail, fiber

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3suc, PDBe:3suc, PDBj:3suc
PDBsum3suc
PubMed19450535
UniProtP20345|FIB12_BPPH2 Pre-neck appendage protein (Gene Name=12)

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