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Receptor Information

>6t8b Chain A (length=397) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TLPPLSLLDPAEVKQKSYSPESLEAMSRLLEIKLKEFGVEVSVDSVHPGP
VITRFEIQPAAGVKVSRISNLAKDLARSLAVISVRVVEVIPGKTTVGIEI
PNEDRQMVRFSEVLSSPEYDEHKSTVPLALGHDIGGRPIITDLAKMPHLL
VAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELSIYEGIPHL
LCPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEA
GTPLTDPPQLSTLPTIVVVVDEFADMMMIVGKKVEELIARIAQKARAAGI
HLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQGGAEQLLG
HGDMLYLPPGTGLPIRVHGAFVSDDEVHRVVEAWKLRGAPDYIEDIL

Ligand ID

AGS

InChI

InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

6t8b Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6t8b FtsK in motion reveals its mechanism for double-stranded DNA translocation.
Resolution	3.65 Å
Binding residue (original residue number in PDB)	T468 S470 G471 K472 S473 V474 H675 G693 F695
Binding residue (residue number reindexed from 1)	T155 S157 G158 K159 S160 V161 H351 G369 F371
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding
GO:0003677	DNA binding
GO:0005524	ATP binding

PDB	RCSB:6t8b, PDBe:6t8b, PDBj:6t8b
PDBsum	6t8b
PubMed	32513722
UniProt	Q9I0M3\|FTSK_PSEAE DNA translocase FtsK (Gene Name=ftsK)

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Structure of PDB 6t8b Chain A Binding Site BS03