Structure of PDB 6ojx Chain B Binding Site BS01

Receptor Information
>6ojx Chain B (length=354) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MANMHQLLTELVNRGGSDLHLTTNSPPQIRIDGKLLPLDMPPLNAVDTKQ
LCYSILTEQQKHKFEENNELDLSFGIKGLSRFRGNVFVQRGAVAGVFRVI
PYKILSFEELGLPPVVRELAEKPRGLVLVTGPTGSGKSTTLAAIIDKINT
DRHEHIVTVEDPIEYLHPHKSCVVNQREVGADTKSFKNALKYILRQDPDV
VLVGELRDLETIEAALTLAETGHLCFATLHTNSAVQTINRIVDVFPSYQQ
PQVRAQLSFVLEGVLSQTLLPKASGTGRVLAIEVMVPNPAIRNLIREDKI
HQIYSQMQVGQEKFGMMTMNQCLYGLLQKRHITMDVGMGRSPDPDELKQM
LTSG
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
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)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6ojx Chain B Residue 404 [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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PDB6ojx Multiple conformations facilitate PilT function in the type IV pilus.
Resolution1.892 Å
Binding residue
(original residue number in PDB)		R83 R98 L110 T133 G134 G136 K137 S138 T139 L269 R278
Binding residue
(residue number reindexed from 1)		R83 R98 L110 T133 G134 G136 K137 S138 T139 L269 R278
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6ojx, PDBe:6ojx, PDBj:6ojx
PDBsum6ojx
PubMed31729381
UniProtQ39VU6

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