Structure of PDB 7q2x Chain A Binding Site BS03

Receptor Information
>7q2x Chain A (length=431) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVEELIIDGFKSYATRTVITDWDPQFNAITGLNGSGKSNILDAICFVLG
IASMSTVRASSLQDLIYKRGQAGVTKASVTIVFDNTDKSNSPIGFTNSPQ
ISVTRQVVLGGTSKYLINGHRAPQQSVLQLFQSVQLNINNPNFLIMQGKI
TKVLNMKPSEILSLIEEAAGTKMFEDRREKAERTMSKKETKLQENRTLLT
EEIEPKLEKLRNEKRMFLEFQSTQTDLESKQLNEKFQELRKKVNPNIMNM
IENVEKKEAALKTMIKTIEKDKMKIQETISKLNEYKRETLVKTWEKVTLD
FGNIFADLLPNSFAKLVPCEGKDVTQGLEVKVKLGNIWKESLIELSGGQR
SLIALSLIMALLQFRPAPMYILDEVDAALDLSHTQNIGHLIKTRFKGSQF
IVVSLKEGMFANANRVFRTRFQDGTSVVSIM
Ligand information
Ligand IDADP
InChIInChI=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
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7q2x Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q2x Clamping of DNA shuts the condensin neck gate.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K12 S13 G35 G37 K38 S39 N40 Y67 Q147
Binding residue
(residue number reindexed from 1)		K12 S13 G35 G37 K38 S39 N40 Y67 Q147
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000217 DNA secondary structure binding
GO:0003680 minor groove of adenine-thymine-rich DNA binding
GO:0003682 chromatin binding
GO:0003690 double-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0000070 mitotic sister chromatid segregation
GO:0007059 chromosome segregation
GO:0007076 mitotic chromosome condensation
GO:0030261 chromosome condensation
GO:0051276 chromosome organization
GO:0051301 cell division
GO:0070058 tRNA gene clustering
GO:0070550 rDNA chromatin condensation
GO:1903342 negative regulation of meiotic DNA double-strand break formation
Cellular Component
GO:0000785 chromatin
GO:0000793 condensed chromosome
GO:0000796 condensin complex
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7q2x, PDBe:7q2x, PDBj:7q2x
PDBsum7q2x
PubMed35349345
UniProtP38989|SMC2_YEAST Structural maintenance of chromosomes protein 2 (Gene Name=SMC2)

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