Structure of PDB 6u0m Chain 3 Binding Site BS02

Receptor Information
>6u0m Chain 3 (length=594) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDAVFGDRVRRFQEFLDTFTSYRDSVRSIQVYNSNNAANYNILPHRIIIS
LDDLREFDRSFWSGILVEPAYFIPPAEKALTDLADSMDDVPHHPWKLSFK
GSFGAHALSPRTLTAQHLNKLVSVEGIVTKTSLVRPKLIRSVHYAAKTGR
FHYRDYTDATTTLTTRIPTPAIYPTEDTEGNKLTTEYGYSTFIDHQRITV
QEMPEMAPAGQLPRSIDVILDDDLVDKTKPGDRVNVVGVFKSLGAGGMNQ
SNSNTLIGFKTLILGNTVYPLHAARQMLTDFDIRNINKLSKKKDIFDILS
QSLAPSIYGHDHIKKAILLMLMGGVEKNLENGSHLRGDINILMVGDPSTA
KSQLLRFVLNTASLAIATTGRGSSGVGLTAAVTTDRETGERRLEAGAMVL
ADRGVVCIDEFDKMTDVDRVAIHEVMEQQTVTIAKAGIHTTLNARCSVIA
AANPVFGQYDVNRDPHQNIALPDSLLSRFDLLFVVTDDINEIRDRSISEH
VLRTHRVTIPFLRKYVQYAKERVIPQLTQEAINVIVKNYTDLRNDDNTKK
SPITARTLETLIRLATAHAKVRLSKTVNKVDAKVAANLLRFALL
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 3 Residue 1001 [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)		I371 P411 S412 T413 A414 K415 S416 Q417
Binding residue
(residue number reindexed from 1)		I307 P347 S348 T349 A350 K351 S352 Q353
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:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0032508 DNA duplex unwinding
Cellular Component
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
UniProtP24279|MCM3_YEAST DNA replication licensing factor MCM3 (Gene Name=MCM3)

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