Structure of PDB 6u0m Chain 5 Binding Site BS03

Receptor Information
>6u0m Chain 5 (length=597) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTEIIKSFKNFILEFRLDSQFIYRDQLRNNILVKNYSLTVNMEHLIGYNE
DIYKKLSDEPSDIIPLFETAITQVAKRISINSLPTFQLILNSNANQIPLR
DLDSEHVSKIVRLSGIIISTSVLSSRATYLSIMCRNCRHTTSITINNFNT
GNTVSLPRSCNCGPDPYIIIHESSKFIDQQFLKLQEIPELVPVGEMPRNL
TMTCDRYLTNKVIPGTRVTIVGIYSIYNSKNSGVAIRTPYIKILGIQSDV
ETVTMFTEEEEEEFLQLSRNPKLYEILTNSIAPSIFGNEDIKKAIVCLLM
GGSKKILPDGMRLRGDINVLLLGDPGTAKSQLLKFVEKVSPIAVYTSGKG
SSAAGLTASVQRDPMTREFYLEGGAMVLADGGVVCIDEFDKMRDEDRVAI
HEAMEQQTISIAKAGITTVLNSRTSVLAAANPIYGRYDDLKSPGDNIDFQ
TTILSRFDMIFIVKDDHNEERDISIANHVINIHTGNANAMQNQQEENGSE
ISIEKMKRYITYCRLKCAPRLSPQAAEKLSSNFVTIRKQLLINELESTER
PITIRQLEAIIRITESLAKLELSPIAQERHVDEAIRLFQASTMDAAS
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)		I378 F379 P418 G419 T420 A421 K422 S423 Q424
Binding residue
(residue number reindexed from 1)		I285 F286 P325 G326 T327 A328 K329 S330 Q331
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003688 DNA replication origin binding
GO:0005524 ATP binding
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0032508 DNA duplex unwinding
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
UniProtP29496|MCM5_YEAST Minichromosome maintenance protein 5 (Gene Name=MCM5)

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