Structure of PDB 4cdg Chain B Binding Site BS01

Receptor Information
>4cdg Chain B (length=616) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HERFQSLSFPHTKEMMKIFHKKFGLHNFRTNQLEAINAALLGEDCFILMP
TGGGKSLCYQLPACVSPGVTVVISPLRSLIVDQVQKLTSLDIPATYLTGD
KTDSEATNIYLQLSKKDPIIKLLYVTPEKICASNRLISTLENLYERKLLA
RFVIDEAHCVSQWGHDFRQDYKRMNMLRQKFPSVPVMALTATANPRVQKD
ILTQLKILRPQVFSMSFNRHNLKYYVLPKKPKKVAFDCLEWIRKHHPYDS
GIIYCLSRRECDTMADTLQRDGLAALAYHAGLSDSARDEVQQKWINQDGC
QVICATIAFGMGIDKPDVRFVIHASLPKSVEGYYQESGRAGRDGEISHCL
LFYTYHDVTRLKRETHFNNLYSMVHYCENITECRRIQLLAYFGENGFNPD
FCKKHPDVSCDNCCKTKDYKTRDVTDDVKSIVRFVQEHSGRFTMNMLVDI
FLGSKSAKIQSGIFGKGSAYSRHNAERLFKKLILDKILDEDLYINQAIAY
VMLGNKAQTVLNGNLKVDFMETENSSSVKKQKAVSQREEMVKKCLGELTE
VCKSLGKVFGVHYFNIFNTVTLKKLAESLSSDPEVLLQIDGVTEDKLEKY
GAEVISVLQKYSEWTS
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 chain4cdg Chain B Residue 1634 [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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PDB4cdg Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Resolution2.794 Å
Binding residue
(original residue number in PDB)		L665 N667 R669 Q672 G692 G694 K695 S696 R982
Binding residue
(residue number reindexed from 1)		L25 N27 R29 Q32 G52 G54 K55 S56 R342
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0006260 DNA replication
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0044237 cellular metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4cdg, PDBe:4cdg, PDBj:4cdg
PDBsum4cdg
PubMed25901030
UniProtP54132|BLM_HUMAN RecQ-like DNA helicase BLM (Gene Name=BLM)

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