BioLiP

Receptor Information

>7plo Chain 2 (length=697) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ESIENLEDLKGHSVREWVSMAGPRLEIHHRFKNFLRTHVDSHGHNVFKER
ISDMCKENRESLVVNYEDLAAREHVLAYFLPEAPAELLQIFDEAALEVVL
AMYPKYDRITNHIHVRISHLPLVEELRSLRQLHLNQLIRTSGVVTSCTGV
LPQLSMVKYNCNKCNFVLGPFCQSQNQEVKPGSCPECQSAGPFEVNMEET
IYQNYQRIRIQESPGKVAAGRLPRSKDAILLADLVDSCKPGDEIELTGIY
HNNYDGSLNTANGFPVFATVILANHVAKKDNKVAVGELTDEDVKMITSLS
KDQQIGEKIFASIAPSIYGHEDIKRGLALALFGGEPKNPGGKHKVRGDIN
VLLCGDPGTAKSQFLKYIEKVSSRAIFTTGQGASAVGLTAYVQRHPVSRE
WTLEAGALVLADRGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVT
SLQARCTVIAAANPIGGRYDPSLTFSENVDLTEPIISRFDILCVVRDTVD
PVQDEMLARFVVGSHVRHHPSTYGVEPLPQEVLKKYIIYAKERVHPKLNQ
MDQDKVAKMYSDLRKESMATGSIPITVRHIESMIRMAEAHARIHLRDYVI
EDDVNMAIRVMLESFIDTQKFSVMRSMRKTFARYLSFRRDNNELLLFILK
QLVAEQVTYQRNVPEKDLVDKARQINIHNLSAFYDSELFRMNKFSHD

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

7plo Chain 2 Residue 1003 [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	7plo A conserved mechanism for regulating replisome disassembly in eukaryotes.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	Y486 P525 G526 T527 A528 K529 S530 Q531 L675
Binding residue (residue number reindexed from 1)	Y318 P357 G358 T359 A360 K361 S362 Q363 L507
Annotation score	3

Enzyme Commision number

3.6.4.12: DNA helicase.

	Molecular Function
GO:0003677	DNA 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:0016787	hydrolase activity
GO:0016887	ATP hydrolysis activity
GO:0017116	single-stranded DNA helicase activity
GO:0019899	enzyme binding
GO:0042393	histone binding
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:0006139	nucleobase-containing compound metabolic process
GO:0006260	DNA replication
GO:0006268	DNA unwinding involved in DNA replication
GO:0006270	DNA replication initiation
GO:0006334	nucleosome assembly
GO:0006915	apoptotic process
GO:0030174	regulation of DNA-templated DNA replication initiation
GO:0032508	DNA duplex unwinding
GO:0071353	cellular response to interleukin-4
GO:0090102	cochlea development
GO:1902975	mitotic DNA replication initiation
GO:1905775	negative regulation of DNA helicase activity

	Cellular Component
GO:0000781	chromosome, telomeric region
GO:0000785	chromatin
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005664	nuclear origin of replication recognition complex
GO:0005694	chromosome
GO:0005730	nucleolus
GO:0005737	cytoplasm
GO:0042555	MCM complex
GO:0071162	CMG complex

PDB	RCSB:7plo, PDBe:7plo, PDBj:7plo
PDBsum	7plo
PubMed	34700328
UniProt	P49736\|MCM2_HUMAN DNA replication licensing factor MCM2 (Gene Name=MCM2)

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Structure of PDB 7plo Chain 2 Binding Site BS04