Structure of PDB 6u0m Chain 2 Binding Site BS02

Receptor Information
>6u0m Chain 2 (length=634) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNVSRTIARELKSFLLEYTDETGRSVYGARIRTLGEMNSESLEVNYRHLA
ESKAILALFLAKCPEEMLKIFDLVAMEATELHYPDYARIHSEIHVRISDF
PTIYSLRELRESNLSSLVRVTGVVTRRTGVFPQLKYVKFNCLKCGSILGP
FFQDSNEEIRISFCTNCKSKGPFRVNGEKTVYRNYQRVTLQEAPGTVPPG
RLPRHREVILLADLVDVSKPGEEVEVTGIYKNNYDGNLNAKNGFPVFATI
IEANSIKRREGNTANEGEEGLDVFSWTEEEEREFRKISRDRGIIDKIISS
MAPSIYGHRDIKTAVACSLFGGVPKNVNGKHSIRGDINVLLLGDPGTAKS
QILKYVEKTAHRAVFATGQGASAVGLTASVRKDPITKEWTLEGGALVLAD
KGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVTTLQARCSIIAAA
NPNGGRYNSTLPLAQNVSLTEPILSRFDILCVVRDLVDEEADERLATFVV
DSHVRSQLNARQRRLQRQRKKEEEISPIPQELLMKYIHYARTKIYPKLHQ
MDMDKVSRVYADLRRESISTGSFPITVRHLESILRIAESFAKMRLSEFVS
SYDLDRAIKVVVDSFVDAQKVSVRRQLRRSFAIY
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 chain6u0m Chain 5 Residue 801 [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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PDB6u0m DNA unwinding mechanism of a eukaryotic replicative CMG helicase.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		H531 E625 R676 V807 R808 E811
Binding residue
(residue number reindexed from 1)		H331 E425 R476 V577 R578 E581
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
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0032508 DNA duplex unwinding
GO:1905775 negative regulation of DNA helicase activity
Cellular Component
GO:0005634 nucleus
GO:0042555 MCM complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6u0m, PDBe:6u0m, PDBj:6u0m
PDBsum6u0m
PubMed
UniProtP29469|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)

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