Structure of PDB 7w1y Chain 2 Binding Site BS04

Receptor Information

>7w1y Chain 2 (length=706) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DLKGHSVREWVSMAGPRLEIHHRFKNFLRTHVDSHGHNVFKERISDMCKE
NRESLVVNYEDLAAREHVLAYFLPEAPAELLQIFDEAALEVVLAMYPKYD
RITNHIHVRISHLPLVEELRSLRQLHLNQLIRTSGVVTSCTGVLPQLSMV
KYNCNKCNFVLGPFCQSQNQEVKPGSCPECQSAGPFEVNMEETIYQNYQR
IRIQESPGKVAAGRLPRSKDAILLADLVDSCKPGDEIELTGIYHNNYDGS
LNTANGFPVFATVILANHVAKKDNGELTDEDVKMITSLSKDQQIGEKIFA
SIAPSIYGHEDIKRGLALALFGGEPKNPGGKHKVRGDINVLLCGDPGTAK
SQFLKYIEKVSSRAIFTTGQGASAVGLTAYVQRHPVSREWTLEAGALVLA
DRGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVTSLQARCTVIAA
ANPIGGRYDPSLTFSENVDLTEPIISRFDILCVVRDTVDPVQDEMLARFV
VGSHVRHHPSNKGVEPLPQEVLKKYIIYAKERVHPKLNQMDQDKVAKMYS
DLRKESMATGSIPITVRHIESMIRMAEAHARIHLRDYVIEDDVNMAIRVM
LESFIDTQKFSVMRSMRKTFARYLSFRRDNNELLLFILKQLVAEQVTYQR
NRFGAQQDTIEVPEKDLVDKARQINIHNLSAFYDSELFRMNKFSHDLKRK
MILQQF

Ligand information

Ligand ID

ADP

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

Formula

C10 H15 N5 O10 P2

Name

ADENOSINE-5'-DIPHOSPHATE

PDB chain

7w1y Chain 5 Residue 803 [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	7w1y The human pre-replication complex is an open complex.
Resolution	2.59 Å
Binding residue (original residue number in PDB)	H511 V764 E768
Binding residue (residue number reindexed from 1)	H332 V566 E570
Annotation score	5

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: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

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Molecular Function

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Cellular Component

External links

PDB	RCSB:7w1y, PDBe:7w1y, PDBj:7w1y
PDBsum	7w1y
PubMed	36608662
UniProt	P49736\|MCM2_HUMAN DNA replication licensing factor MCM2 (Gene Name=MCM2)

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