Structure of PDB 1cr1 Chain A Binding Site BS01

Receptor Information
>1cr1 Chain A (length=245) Species: 10760 (Escherichia phage T7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRERIREHLSSEESVGLLFSGCTGINDKTLGARGGEVIMVTSGSGMGKST
FVRQQALQWGTAMGKKVGLAMLEESVEETAEDLIGLHNRVRLRQSDSLKR
EIIENGKFDQWFDELFGNDTFHLYDSFAEAETDRLLAKLAYMRSGLGCDV
IILDHISIRKMIDNLMTKLKGFAKSTGVVLVVICHLKTDLRGSGALRQLS
DTIIALERNQLVLVRILKCRFTGDTGIAGYMEYNKETGWLEPSSY
Ligand information
Ligand IDTTP
InChIInChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyNHVNXKFIZYSCEB-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H17 N2 O14 P3
NameTHYMIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL363559
DrugBankDB02452
ZINCZINC000008215959
PDB chain1cr1 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

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PDB1cr1 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 M316 G317 K318 S319 T320 H465 R504 Y535
Binding residue
(residue number reindexed from 1)		S44 G45 M46 G47 K48 S49 T50 H185 R208 Y233
Annotation score2
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:1cr1, PDBe:1cr1, PDBj:1cr1
PDBsum1cr1
PubMed10535735
UniProtP03692|HELIC_BPT7 DNA helicase/primase (Gene Name=4)

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