PDBsum entry 4ask

Ligand/metal interactions

PDB id

4ask


	2 instances of ligand highlighted
	K0I

Ligands

K0I ×2

K0I 2639(A)

Metals

_CO ×2

CO 3000(A)

_ZN ×2

ZN 2000(A)

Ligand K0I - 3-[[2-Pyridin-2-Yl-6-(1,2,4,5-Tetrahydro-3-Benzazepin- 3-
Yl)pyrimidin-4-Yl]amino]propanoic acid
[3-((6-(4,5-Dihydro-1h-Benzo[d]azepin-3(2h)-Yl)-2- (Pyridin-
2-Yl)pyrimidin-4-Yl)amino)propanoic acid]
Formula: C₂₂H₂₃N₅O₂

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings
K0I 2639(A)	29	14	0	0	15	2

Advanced Analysis

Residue	Name Mismatches	Count
K0I 2639(A)	C20: C4\|C22: C6\|C21: C5\|C4: C15\|C5: C14...	6

Additional Information

Validation carried out using MotiveValidator. Full validation report can be found in Validator^DB.

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LIGPLOT of interactions involving ligand K0I

List of
interactions

K0I 2639(A)

(also representing equivalent ligand K0I 2639(B) )