Structure of PDB 3pfi Chain B Binding Site BS01

Receptor Information
>3pfi Chain B (length=283) Species: 192222 (Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNFDGYIGQESIKKNLNVFIAAAKKRNECLDHILFSGPAGLGKTTLANII
SYEMSANIKTTAAPMIEKSGDLAAILTNLSEGDILFIDEIHRLSPAIEEV
LYPAMEDYPKFTLIGATTRAGMLSNPLRDRFGMQFRLEFYKDSELALILQ
KAALKLNKTCEEKAALEIAKRSRSTPRIALRLLKRVRDFADVNDEEIITE
KRANEALNSLGVNELGFDAMDLRYLELLTAAKQKPIGLASIAAALSEDEN
TIEDVIEPYLLANGYIERTAKGRIASAKSYSAL
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 chain3pfi Chain B Residue 336 [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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PDB3pfi 2.7 Angstrom resolution crystal structure of a probable holliday junction DNA helicase (ruvB) from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with adenosine-5'-diphosphate
Resolution2.695 Å
Binding residue
(original residue number in PDB)		Y28 G62 L63 G64 K65 T66 T67 Y181 I189 P217 R218 L221
Binding residue
(residue number reindexed from 1)		Y6 G40 L41 G42 K43 T44 T45 Y140 I148 P176 R177 L180
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K65 T66 D110 T159 R218
Catalytic site (residue number reindexed from 1) K43 T44 D88 T118 R177
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
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:3pfi, PDBe:3pfi, PDBj:3pfi
PDBsum3pfi
PubMed
UniProtQ9PMT7|RUVB_CAMJE Holliday junction branch migration complex subunit RuvB (Gene Name=ruvB)

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