Structure of PDB 6blb Chain A Binding Site BS01

Receptor Information
>6blb Chain A (length=311) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIRPLKLADYIGQPSVREQMELFIHAARGRQEALDHTLIFGPPGLGKTTL
ANIIAQEMGVSIKSTSGPVLERPGDLAALLTNLEAGDVLFVDEIHRLSPI
VEEVLYPAMEDFQLDIMIARSIKLDLPPFTLVGATTRAGMLTNPLRDRFG
IVQRLEFYNVEDLATIVSRSAGILGLEIEPQGAAEIAKRARGTPRIANRL
LRRVRDFAEVRGQGDITRVIADKALNLLDVDERGFDHLDRRLLLTMIDKF
DGGPVGIDNLAAALSEERHTIEDVLEPYLIQQGYIMRTPRGRVVTRHAYL
HFGLNIPKRLG
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 chain6blb Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6blb 1.88 Angstrom Resolution Crystal Structure Holliday Junction ATP-dependent DNA Helicase (RuvB) from Pseudomonas aeruginosa in Complex with ADP.
Resolution1.88 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)		R3 P4 Y10 I11 G44 G46 K47 T48 T49 Y158 I166 P194 R195
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K69 T70 D114 T163 R222
Catalytic site (residue number reindexed from 1) K47 T48 D92 T136 R195
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:6blb, PDBe:6blb, PDBj:6blb
PDBsum6blb
PubMed
UniProtQ51426|RUVB_PSEAE Holliday junction branch migration complex subunit RuvB (Gene Name=ruvB)

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