PDBsum entry 1jfh

Ligand/metal interactions

PDB id

1jfh


	Ligand highlighted
	MA3-MA2

Ligands

MA3-MA2

MA3 1(B) to MA2 2(B)

MA1-GLC ×2

MA1 1(C) to GLC 2(C)

MA1 1(D) to GLC 2(D)

Metals

_CA

CA 500(A)

_CL

CL 498(A)

_HG

HG 499(A)

Ligand MA3-MA2

MA3 - Methyl 4-Thio-Alpha-D-Glucopyranoside [O1-Methyl-4-Deoxy-4-Thio-Alpha-D-Glucose; methyl 4- Thio-Alpha-D-Glucoside; methyl 4-Thio-D-Glucoside; methyl 4-Thio-Glucoside] Formula: C₇H₁₄O₅S

MA2 - 4-S-Methyl-4-Thio-Alpha-D-Glucopyranose [4-S-Methyl-4-Thio-Alpha-D-Glucose; 4-S-Methyl-4-Thio-D- Glucose; 4-S-Methyl-4-Thio-Glucose] Formula: C₇H₁₄O₅S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
MA3 1(B)	13	13	0	0	Complete		Chiral checks - OK
MA2 2(B)	13	13	1	1	Complete		Chiral checks - OK

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 MA3-MA2

List of
interactions

MA3 1(B) to MA2 2(B)