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Receptor Information

>7npf Chain C (length=404) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KREQTIENLYQLAQLTQQVQADRIEIVLEERRDEHFPPMSKALMETRSGL
TRRKLDEAIAKMEEAGHQFTKNNANHYSISLSEAHMLMDAAGVPKFHERK
KNNENKPWIINVQNQKGGTGKSMTAVHLAACLALNLDKRYRICLIDLDPQ
GSLRLFLNPQISLAEHTNIYSAVDIMLDNVPDGVQVDTEFLRKNVMLPTQ
YPNLKTISAFPEDAMFNAEAWQYLSQNQSLDIVRLLKEKLIDKIASDFDI
IMIDTGPHVDPLVWNAMYASNALLIPCAAKRLDWASTVNFFQHLPTVYEM
FPEDWKGLEFVRLMPTMFEDDNKKQVSVLTEMNYLLGDQVMMATIPRSRA
FETCADTYSTVFDLTVNDFEGGKKTLATAQDAVQKSALELERVLHSHWSS
LNQG

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

7npf Chain C Residue 502 [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	7npf The structure of the bacterial DNA segregation ATPase filament reveals the conformational plasticity of ParA upon DNA binding.
Resolution	4.5 Å
Binding residue (original residue number in PDB)	K119 G120 G121 T122 G123 K124 S125 M126 P260 R350 F354
Binding residue (residue number reindexed from 1)	K116 G117 G118 T119 G120 K121 S122 M123 P257 R347 F351
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding
GO:0046872	metal ion binding

PDB	RCSB:7npf, PDBe:7npf, PDBj:7npf
PDBsum	7npf
PubMed	34453062
UniProt	Q9KKJ2

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Structure of PDB 7npf Chain C Binding Site BS02