Structure of PDB 6ok2 Chain D Binding Site BS01

Receptor Information
>6ok2 Chain D (length=361) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSHMANMHQLLTELVNRGGSDLHLTTNSPPQIRIDGKLLPLDMPPLNA
VDTKQLCYSILTEQQKHKFEENNELDLSFGIKGLSRFRGNVFVQRGAVAG
VFRVIPYKILSFEELGLPPVVRELAEKPRGLVLVTGPTGSGKSTTLAAII
DKINTDRHEHIVTVEDPIEYLHPHKSCVVNQREVGADTKSFKNALKYILR
QDPDVVLVGELRDLETIEAALTLAETGHLCFATLHTNSAVQTINRIVDVF
PSYQQPQVRAQLSFVLEGVLSQTLLPKASGTGRVLAIEVMVPNPAIRNLI
REDKIHQIYSQMQVGQEKFGMMTMNQCLYGLLQKRHITMDVGMGRSPDPD
ELKQMLTSGVR
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 chain6ok2 Chain D 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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PDB6ok2 Multiple conformations facilitate PilT function in the type IV pilus.
Resolution3.287 Å
Binding residue
(original residue number in PDB)		L110 T133 G134 S135 G136 K137 S138 T139 L269 L280
Binding residue
(residue number reindexed from 1)		L115 T138 G139 S140 G141 K142 S143 T144 L274 L285
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:6ok2, PDBe:6ok2, PDBj:6ok2
PDBsum6ok2
PubMed31729381
UniProtQ39VU6

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