Structure of PDB 1e0j Chain D Binding Site BS01

Receptor Information
>1e0j Chain D (length=287) Species: 10760 (Escherichia phage T7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPDGVVSALSLRERIREHLSSSVGLLFSGCTGINDKTLGARGGEVIMVTS
GSGMGKSTFVRQQALQWGTAMGKKVGLAMLEESVEETAEDLIGLHNRVRL
RQSDSLKREIIENGKFDQWFDELFGNDTFHLYDSFAEAETDRLLAKLAYM
RSGLGCDVIILDHISIVVSASGESDERKMIDNLMTKLKGFAKSTGVVLVV
ICHLKNPDKGKAHEEGRPVSITDLRGSGALRQLSDTIIALERNQQGDMPN
LVLVRILKCRFTGDTGIAGYMEYNKETGWLEPSSYSG
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain1e0j Chain D Residue 700 [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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PDB1e0j Crystal Structure of T7 Gene 4 Ring Helicase Indicates a Mechanism for Sequential Hydrolysis of Nucleotides
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S314 G315 G317 K318 S319 T320 R361 R504 Y535
Binding residue
(residue number reindexed from 1)		S52 G53 G55 K56 S57 T58 R99 R242 Y273
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:1e0j, PDBe:1e0j, PDBj:1e0j
PDBsum1e0j
PubMed10892646
UniProtP03692|HELIC_BPT7 DNA helicase/primase (Gene Name=4)

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