Structure of PDB 7l34 Chain A Binding Site BS04

Receptor Information
>7l34 Chain A (length=637) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNDPSGYNPAKNNYHPVEDACWKPGQKVPYLAVARTFEKIEEVSARLRMV
ETLSNLLRSVVALSPPDLLPVLYLSLNHLGPPQQGLELGVGDGVLLKAVA
QATGRQLESVRAEAAEKGDVGLVAENSRLMLPPPPLTASGVFSKFRDIAR
LTGSASTAKKIDIIKGLFVACRHSEARFIARSLSGRLRLGLAEQSVLAAL
SQAVSLTPPGQEFPPAMVDAGKGKTAEARKTWLEEQGMILKQTFCEVPDL
DRIIPVLLEHGLERLPEHCKLSPGIPLKPMLAHPTRGISEVLKRFEEAAF
TCEYKYDGQRAQIHALEGGEVKIFSRNQEDNTGKYPDIISRIPKIKLPSV
TSFILDTEAVAWDREKKQIQPFQVLTTLKRKEVDASEIQVQVCLYAFDLI
YLNGESLVREPLSRRRQLLRENFVETEGEFVFATSLDTKDIEQIAEFLEQ
SVKDSCEGLMVKTLDVDATYEIAKRSHNWLKLKKDYLDGVGDTLDLVVIG
AYLGRGKRAGRYGGFLLASYDEDSEELQAICKLGTGFSDEELEEHHQSLK
ALVLPSPRPYVRIDGAVIPDHWLDPSAVWEVKCADLSLSPIYPAARGLVD
SDKGISLRFPRFIRVREDKQPEQATTSAQVACLYRKQ
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain7l34 Chain C Residue 101 [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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PDB7l34 LIG1 syndrome mutations remodel a cooperative network of ligand binding interactions to compromise ligation efficiency.
Resolution1.901 Å
Binding residue
(original residue number in PDB)		K568 Y569 R573 R589 E621 F660 M723 K725 W742 K744
Binding residue
(residue number reindexed from 1)		K305 Y306 R310 R326 E358 F397 M460 K462 W479 K481
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.1: DNA ligase (ATP).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003909 DNA ligase activity
GO:0003910 DNA ligase (ATP) activity
GO:0005524 ATP binding
Biological Process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0071897 DNA biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7l34, PDBe:7l34, PDBj:7l34
PDBsum7l34
PubMed33444456
UniProtP18858|DNLI1_HUMAN DNA ligase 1 (Gene Name=LIG1)

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