Structure of PDB 1cr2 Chain A Binding Site BS01

Receptor Information
>1cr2 Chain A (length=239) Species: 10760 (Escherichia phage T7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRERIREHLSSEESVGLLFSGCTGINDKTLGARGGEVIMVTSGSGMGKST
FVRQQALQWGTAMGKKVGLAMLEESVEETAEDLIGLHNRVRLRQSDSLKR
EIIENGKFDQWFDELFGNDTFHLYDSFEAETDRLLAKLAYMRSGLGCDVI
ILDHISIRKMIDNLMTKLKGFAKSTGVVLVVICHLKSGALRQLSDTIIAL
ERNNLVLVRILKCRFTGDTGIAGYMEYNKETGWLEPSSY
Ligand information
Ligand IDDTP
InChIInChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKeySUYVUBYJARFZHO-RRKCRQDMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
FormulaC10 H16 N5 O12 P3
Name2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
ChEMBLCHEMBL335538
DrugBankDB03222
ZINCZINC000008215662
PDB chain1cr2 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1cr2 Crystal structure of the helicase domain from the replicative helicase-primase of bacteriophage T7.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S314 G315 G317 K318 S319 T320 H465 R504 Y535
Binding residue
(residue number reindexed from 1)		S44 G45 G47 K48 S49 T50 H184 R202 Y227
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.-
3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003678 DNA helicase activity
GO:0003697 single-stranded DNA binding
GO:0005524 ATP binding
GO:0043139 5'-3' DNA helicase activity
Biological Process
GO:0006260 DNA replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1cr2, PDBe:1cr2, PDBj:1cr2
PDBsum1cr2
PubMed10535735
UniProtP03692|HELIC_BPT7 DNA helicase/primase (Gene Name=4)

[Back to BioLiP]