PDBsum entry 3ee5

Ligand/metal interactions

PDB id

3ee5


	3 instances of ligand highlighted
	GAL-NAG

Ligands

GAL-NAG ×3

GAL 1(D) to NAG 2(D)

UDH ×3

2NA ×3

SO4 ×14

GOL ×7

DIO

MES

Metals

_MN ×3

MN 400(B)

MN 400(C)

Ligand GAL-NAG

GAL - Beta-D-Galactopyranose [Beta-D-Galactose; d-Galactose; galactose] Formula: C₆H₁₂O₆

NAG - 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose [N-Acetyl-Beta-D-Glucosamine; 2-Acetamido-2-Deoxy-Beta- D-Glucose; 2-Acetamido-2-Deoxy-D-Glucose; 2-Acetamido- 2-Deoxy-Glucose; n-Acetyl-D-Glucosamine] Formula: C₈H₁₅NO₆

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
GAL 1(D)	12	12	1	0	Complete		Chiral checks - OK
NAG 2(D)	15	15	1	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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Het Group NAG matches this enzyme's reactant N-acetyl-D-glucosamine with similarity 93.33%

LIGPLOT of interactions involving ligand GAL-NAG

List of
interactions

GAL 1(D) to NAG 2(D)

also representing 2 other equivalent ligands:
GAL 1(E) to NAG 2(E)
GAL 1(F) to NAG 2(F)