Structure of PDB 6olm Chain E Binding Site BS01

Receptor Information
>6olm Chain E (length=352) 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
LT
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 chain6olm Chain E Residue 401 [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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PDB6olm Multiple conformations facilitate PilT function in the type IV pilus.
Resolution4.4 Å
Binding residue
(original residue number in PDB)		L110 G134 S135 G136 K137 S138 T139
Binding residue
(residue number reindexed from 1)		L110 G134 S135 G136 K137 S138 T139
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:6olm, PDBe:6olm, PDBj:6olm
PDBsum6olm
PubMed31729381
UniProtQ39VU6

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