PDBsum entry 2nvd

Ligand/metal interactions

PDB id

2nvd


	3 instances of ligand highlighted
	ITB

Ligands

NAP

NAP 500(A)

ITB ×3

ITB 600(A)

ITB 700(A)

ITB 800(A)

Ligand ITB - 2-(Carboxymethyl)-1-Oxo-1,2-Dihydronaphtho[1,2-
D]isothiazole-4-Carboxylic acid 3,3-Dioxide
[2-Carboxymethyl-1,3,3-Trioxo-1,2-Dihydronaphtho[1,2-
D]isothiazole-4-Carboxylic acid]
Formula: C₁₄H₉NO₇S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
ITB 600(A)	23	23	0	0	Complete		Chiral checks - OK

Additional Information

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

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Ligand matches this enzyme's reactant all-trans-retinol with similarity 41.94%

LIGPLOT of interactions involving ligand ITB

List of
interactions

ITB 600(A)