Structure of PDB 7x5b Chain A Binding Site BS01
Receptor Information
>7x5b Chain A (length=312) Species:
208964
(Pseudomonas aeruginosa PAO1) [
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RAIRPLKLADYIGQPSVREQMELFIHAARGRQEALDHTLIFGPPGLGKTT
LANIIAQEMGVSIKSTSGPVLERPGDLAALLTNLEAGDVLFVDEIHRLSP
IVEEVLYPAMEDFQLDIMIGRSIKLDLPPFTLVGATTRAGMLTNPLRDRF
GIVQRLEFYNVEDLATIVSRSAGILGLEIEPQGAAEIAKRARGTPRIANR
LLRRVRDFAEVRGQGDITRVIADKALNLLDVDERGFDHLDRRLLLTMIDK
FDGGPVGIDNLAAALSEERHTIEDVLEPYLIQQGYIMRTPRGRVVTRHAY
LHFGLNIPKRLG
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
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
7x5b Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
7x5b
Cryo-EM structure of the RuvAB-Holliday junction intermediate complex from Pseudomonas aeruginosa.
Resolution
2.16 Å
Binding residue
(original residue number in PDB)
R25 P26 Y32 I33 G66 G68 K69 T70 T71 Y185 I193 P221 R222
Binding residue
(residue number reindexed from 1)
R4 P5 Y11 I12 G45 G47 K48 T49 T50 Y159 I167 P195 R196
Annotation score
5
Enzymatic activity
Enzyme Commision number
3.6.4.12
: DNA helicase.
Gene Ontology
Molecular Function
GO:0000400
four-way junction DNA binding
GO:0003677
DNA binding
GO:0005524
ATP binding
GO:0009378
four-way junction helicase activity
GO:0016787
hydrolase activity
GO:0016887
ATP hydrolysis activity
Biological Process
GO:0006281
DNA repair
GO:0006310
DNA recombination
GO:0032508
DNA duplex unwinding
GO:0071247
cellular response to chromate
GO:0072715
cellular response to selenite ion
Cellular Component
GO:0005737
cytoplasm
GO:0048476
Holliday junction resolvase complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:7x5b
,
PDBe:7x5b
,
PDBj:7x5b
PDBsum
7x5b
PubMed
37025142
UniProt
Q51426
|RUVB_PSEAE Holliday junction branch migration complex subunit RuvB (Gene Name=ruvB)
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