Structure of PDB 2ewv Chain A Binding Site BS01

Receptor Information
>2ewv Chain A (length=343) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELKILEIIKEAIELGASDIHLTAGAPPAVRIDGYIKFLKDFPRLTPEDTQ
KLAYSVMSEKHRQKLEENGQVDFSFGVRGVGRFRANVFYQRGSVAAALRS
LPAEIPEFKKLGLPDKVLELCHRKMGLILVTGPTGSGKSTTIASMIDYIN
QTKSYHIITIEDPIEYVFKHKKSIVNQREVGEDTKSFADALRAALREDPD
VIFVGEMRDLETVETALRAAETGHLVFGTLHTNTAIDTIHRIVDIFPLNQ
QEQVRIVLSFILQGIISQRLLPKIGGGRVLAYELLIPNTAIRNLIRENKL
QQVYSLMQMQTMNQTLYKLYKQGLITLEDAMEASPDPKELERM
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 chain2ewv Chain A Residue 500 [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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PDB2ewv Crystal structures of the pilus retraction motor PilT suggest large domain movements and subunit cooperation drive motility.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L122 S147 G148 K149 S150 T151 R289
Binding residue
(residue number reindexed from 1)		L111 S136 G137 K138 S139 T140 R278
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:2ewv, PDBe:2ewv, PDBj:2ewv
PDBsum2ewv
PubMed17355871
UniProtO66950

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