Structure of PDB 4blt Chain C Binding Site BS01

Receptor Information
>4blt Chain C (length=300) Species: 161736 (Pseudomonas phage phi12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIHLYDAKSFAKLRAAQYAAFHTDAPGSWFDHTSGVLESVEDGTPVLAIG
VESGDAIVFDKNAQRIVAYKEKSVKAEDGSVSVVQVENGFMKQGHRGWLV
DLTGELVGCSPVVAEFGGHRYASGMVIVTGKGNSGKTPLVHALGEALGGK
DKYATVRFGEPLSGYNTDFNVFVDDIARAMLQHRVIVIDSLKNVIISRGA
FDLLSDIGAMAASRGCVVIASLNPTDKIVELVKEASRSNSTSLVISTDVD
GEWQVLTRTGEGLQRLTHTLQTSYGEHAVLTIHTQTVIKNDELESVLRRL
Ligand information
Ligand IDAPC
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChIKeyCAWZRIXWFRFUQB-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
FormulaC11 H18 N5 O12 P3
NameDIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER;
ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL132722
DrugBankDB02596
ZINCZINC000008295117
PDB chain4blt Chain C 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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PDB4blt Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G135 K136 T137 E160 K192 N234 Y288 A292
Binding residue
(residue number reindexed from 1)		G135 K136 T137 E160 K192 N223 Y274 A278
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0019072 viral genome packaging

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4blt, PDBe:4blt, PDBj:4blt
PDBsum4blt
PubMed23939620
UniProtQ94M05

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