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Receptor Information

>5u8t Chain 2 (length=583) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PNVSRTIARELKSFLLEYTDETGRSVYGARIRTLGEMNSESLEVNYRHLA
ESKAILALFLAKCPEEMLKIFDLVAMEATELHYPDYARIHSEIHVRISDF
PTIYSLRELRESNLSSLVRVTGVVTRRTGVFPQLKYVKFNCLLGPFFQDS
NEEIRVNGEKTVYRNYQRVTLQEAPGTVPPGRLPRHREVILLADLVDVSK
PGEEVEVTGIYKNNYDGNLNAKNGFPVFATIIEANSIKRRVFSWTEEEER
EFRKISRDRGIIDKIISSMAPSIYGHRDIKTAVACSLFGGVPKNVNGKHS
IRGDINVLLLGDPGTAKSQILKYVEKTAHRAVFATGQGASAVGLTASVRK
DPITKEWTLEGGALVLADKGVCLIDEFDKMNDQDRTSIHEAMEQQSISIS
KAGIVTTLQARCSIIAAANPNGGRYNSTLPLAQNVSLTEPILSRFDILCV
VRDLVDEEADERLATFVVDSHVRSSPIPQELLMKYIHYARTKIYPKLHQM
DMDKVSRVYADLRRESISTGSFPITVRHLESILRIAESFAKMRLSEFVSS
YDLDRAIKVVVDSFVDAQKVSVRRQLRRSFAIY

Ligand ID

ANP

InChI

InChI=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

InChIKey

PVKSNHVPLWYQGJ-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370	Nc1ncnc2n(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 12.01	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0	c1nc(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

Formula

C10 H17 N6 O12 P3

Name

PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER

PDB chain

5u8t Chain 2 Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5u8t Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation.
Resolution	4.9 Å
Binding residue (original residue number in PDB)	I505 G507 G546 T547 A548 K549 S550 Q551 E608 L695
Binding residue (residue number reindexed from 1)	I273 G275 G314 T315 A316 K317 S318 Q319 E376 L463
Annotation score	3

Enzyme Commision number

3.6.4.12: DNA helicase.

	Molecular Function
GO:0003677	DNA binding
GO:0003682	chromatin binding
GO:0003688	DNA replication origin binding
GO:0003697	single-stranded DNA binding
GO:0004386	helicase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0008270	zinc ion binding
GO:0016787	hydrolase activity
GO:0016887	ATP hydrolysis activity
GO:0017116	single-stranded DNA helicase activity
GO:0043138	3'-5' DNA helicase activity
GO:0046872	metal ion binding

	Biological Process
GO:0000727	double-strand break repair via break-induced replication
GO:0006260	DNA replication
GO:0006267	pre-replicative complex assembly involved in nuclear cell cycle DNA replication
GO:0006268	DNA unwinding involved in DNA replication
GO:0006270	DNA replication initiation
GO:0006271	DNA strand elongation involved in DNA replication
GO:0006279	premeiotic DNA replication
GO:0006974	DNA damage response
GO:0032508	DNA duplex unwinding
GO:1902975	mitotic DNA replication initiation
GO:1905775	negative regulation of DNA helicase activity

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005656	nuclear pre-replicative complex
GO:0005737	cytoplasm
GO:0031261	DNA replication preinitiation complex
GO:0031298	replication fork protection complex
GO:0042555	MCM complex
GO:0043596	nuclear replication fork
GO:0071162	CMG complex

PDB	RCSB:5u8t, PDBe:5u8t, PDBj:5u8t
PDBsum	5u8t
PubMed	28096349
UniProt	P29469\|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)

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Structure of PDB 5u8t Chain 2 Binding Site BS02