PDBsum entry 4js2

Ligand/metal interactions

PDB id

4js2


	Ligand highlighted
	NAG-NAG-BMA-MAN- NAG-GAL-MAN-NAG- GAL-FUL

Ligands

NAG-NAG-BMA-MAN-
NAG-GAL-MAN-NAG-
GAL-FUL

NAG 1(B) to FUL 10(B)

C5P

C5P 511(A)

Ligand NAG-NAG-BMA-MAN-NAG-GAL-MAN-NAG-GAL-FUL

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

BMA - Beta-D-Mannopyranose [Beta-D-Mannose; d-Mannose; mannose] Formula: C₆H₁₂O₆

MAN - Alpha-D-Mannopyranose [Alpha-D-Mannose; d-Mannose; mannose] Formula: C₆H₁₂O₆

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

FUL - Beta-L-Fucopyranose [Beta-L-Fucose; 6-Deoxy-Beta-L-Galactopyranose; l- Fucose; fucose; 6-Deoxy-Beta-L-Galactose] Formula: C₆H₁₂O₅

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
NAG 1(B)	15	15	1	1	Complete		Chiral checks - OK
NAG 2(B)	15	15	1	0	Complete		Chiral checks - OK
BMA 3(B)	12	12	1	0	Complete		Chiral checks - OK
MAN 4(B)	12	12	1	0	Complete		Chiral checks - OK
NAG 5(B)	15	15	1	0	Complete		Chiral checks - OK
GAL 6(B)	12	12	1	0	Complete		Chiral checks - OK
MAN 7(B)	12	12	1	0	Complete		Chiral checks - OK
NAG 8(B)	15	15	1	0	Complete		Chiral checks - OK
GAL 9(B)	12	12	1	0	Complete		Chiral checks - OK
FUL 10(B)	11	11	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 BMA matches this enzyme's reactant beta-D-galactoside with similarity 84.62%

LIGPLOT of interactions involving ligand NAG-NAG-BMA-MAN-NAG-GAL-MAN-NAG-GAL-FUL

List of
interactions

NAG 1(B) to FUL 10(B)