Structure of PDB 8x7u Chain E Binding Site BS02

Receptor Information
>8x7u Chain E (length=654) Species: 311400 (Thermococcus kodakarensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDREEMIARFAKFLINRLKDLLTVTPKRSLAIDWAHLNSFDPELADELLN
NPEEAIASAEDAIQIVLREPPLLVEREFKVHARFYNLPKTLLVKELGSEH
INKLIQVEGIITRVSEVKPFVEKAVFVCRDCGNEMVRLQRPYENLVKPAK
CDACGSRNIELDVDKSRFLNFQSFRLQDRPESLKGGQMPRFVDAILLDDL
VDAALPGDRVLVTGVLRVILEQREKRPIFKKILEVNHIEQLSKEIEELEI
SPEDEQKIRELAKRKDIVDAIVDSIAPAIWGHRIVKKGIALALFGGVQRT
LPDGTKLRGESHVLLVGDPGVAKSQLLRYVANLAPRAIYTSGKSSSAAGL
TAAAVRDEFTGSWVLEAGVLVLADGGFALIDEFDKMSDRDRSAIHEALEQ
QTISISKAGITATLNSRTTVIAAANPKFGRFNRHKSLPEQLDLPPTLLSR
FDLIFLLLDEPDEKVDASIAEHILKVRRGEAEAVTPKIPYDLLKKYIAYA
RKNVHPVLSREAMEEIKRYYVKMRKGLRRGDEDGVQPIPITARQLEALIR
LSEAHARMRLSETVTREDARAAIEIIEAMMKTIAVDEEGNLDVSILEVGK
SSKKINKIEKPEEKVIEAAKQAGIGTKADIEKLLNELKSDGRVYEPRAGF
YRVI
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 chain8x7u Chain E Residue 701 [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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PDB8x7u MCM in complex with dsDNA in presence of ATP
Resolution3.57 Å
Binding residue
(original residue number in PDB)		I291 W292 P331 G332 V333 A334 K335 S336 N437 I481 I485
Binding residue
(residue number reindexed from 1)		I279 W280 P319 G320 V321 A322 K323 S324 N425 I469 I473
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0032508 DNA duplex unwinding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8x7u, PDBe:8x7u, PDBj:8x7u
PDBsum8x7u
PubMed
UniProtQ5JIT1

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