Structure of PDB 6okv Chain F Binding Site BS01

Receptor Information
>6okv Chain F (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]
ANMHQLLTELVNRGGSDLHLTTNSPPQIRIDGKLLPLDMPPLNAVDTKQL
CYSILTEQQKHKFEENNELDLSFGIKGLSRFRGNVFVQRGAVAGVFRVIP
YKILSFEELGLPPVVRELAEKPRGLVLVTGPTGSGKSTTLAAIIDKINTD
RHEHIVTVEDPIEYLHPHKSCVVNQREVGADTKSFKNALKYILRQDPDVV
LVGELRDLETIEAALTLAETGHLCFATLHTNSAVQTINRIVDVFPSYQQP
QVRAQLSFVLEGVLSQTLLPKASGTGRVLAIEVMVPNPAIRNLIREDKIH
QIYSQMQVGQEKFGMMTMNQCLYGLLQKRHITMDVGMGRSPDPDELKQML
TS
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 chain6okv Chain F Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6okv Multiple conformations facilitate PilT function in the type IV pilus.
Resolution4.007 Å
Binding residue
(original residue number in PDB)		R83 L110 T133 G134 G136 K137 S138 T139 L280
Binding residue
(residue number reindexed from 1)		R82 L109 T132 G133 G135 K136 S137 T138 L279
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:6okv, PDBe:6okv, PDBj:6okv
PDBsum6okv
PubMed31729381
UniProtQ39VU6

[Back to BioLiP]