Structure of PDB 3jvv Chain A Binding Site BS01

Receptor Information
>3jvv Chain A (length=331) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDITELLAFSAKQGASDLHLSAGLPPMIRVDGDVRRINLPPLEHKQVHAL
IYDIMNDKQRKDFEEFLETDFSFEVPGVARFRVNAFNQNRGAGAVFRTIP
SKVLTMEELGMGEVFKRVSDVPRGLVLVTGPTGSGKSTTLAAMLDYLNNT
KYHHILTIEDPIEFVHESKKCLVNQREVHRDTLGFSEALRSALREDPDII
LVGEMRDLETIRLALTAAETGHLVFGTLHTTSAAKTIDRVVDVFPAEEKA
MVRSMLSESLQSVISQTLIKKRVAAHEIMIGTPAIRNLIREDKVAQMYSA
IQTGGSLGMQTLDMCLKGSRENAREKAKIPE
Ligand information
Ligand IDACP
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H18 N5 O12 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
ChEMBLCHEMBL133463
DrugBankDB03909
ZINCZINC000008295124
PDB chain3jvv Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3jvv P. aeruginosa PilT structures with and without nucleotide reveal a dynamic type IV pilus retraction motor.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T132 G135 K136 S137 T138 L268 R276
Binding residue
(residue number reindexed from 1)		T132 G135 K136 S137 T138 L268 R272
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0043107 type IV pilus-dependent motility
GO:0043108 pilus retraction
Cellular Component
GO:0005737 cytoplasm
GO:0044096 type IV pilus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3jvv, PDBe:3jvv, PDBj:3jvv
PDBsum3jvv
PubMed20595000
UniProtP24559|PILT_PSEAE Type IV pilus retractation ATPase PilT (Gene Name=pilT)

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