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MolNFT v1 · #110344 · protein

Structural studies of potassium transport protein ktra regulator of conductance of K+ (rck) C domain in complex with cyclic diadenosine monophosphate (C-di-AMP)

4XTT · Putative potassium transport protein: “Structural studies of potassium transport protein ktra regulator of conductance of K+ (rck) C domain in…”. X-ray diffraction, 1 ligand (2BA), 1 pocket (best druggability 0.66). MolNFT v1…

PDB
4XTT
Type
protein
Length
170 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative potassium transport protein
UniProt
J9USJ9
Ligands
2BA
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative potassium transport proteinprotein8527% helix, 32% strandJ9USJ9

Ligands and binding sites

  • 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12150.660.84262BA

Interfaces

1 interface between chains.

  • A–B · 1221 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 4XTT · Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+… · the same entry in another collection · chain A against A, TM-score 1.00

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