PDBsum entry 1ded

Ligand/metal interactions

PDB id

1ded


	3 instances of ligand highlighted
	BGC-GLC-AC1

Ligands

BGC-GLC-AC1 ×3

BGC 1(C) to AC1 3(C)

BGC 1(D) to AC1 3(D)

Metals

_CA ×4

CA 5003(A)

CA 5001(A)

Ligand BGC-GLC-AC1

BGC - Beta-D-Glucopyranose [Beta-D-Glucose; d-Glucose; glucose] Formula: C₆H₁₂O₆

GLC - Alpha-D-Glucopyranose [Alpha-D-Glucose; d-Glucose; glucose] Formula: C₆H₁₂O₆

AC1 - 4,6-Dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-Trihydroxy-3- (Hydroxymethyl)cyclohex-2-En-1-Yl]amino}-Alpha-D- Glucopyranose [6-Methyl-5-(4,5,6-Trihydroxy-3-Hydroxymethyl-Cyclohex- 2-Enylamino)-Tetrahydro-Pyran-2,3,4-Triol; 4,6- Dideoxy-4-{[(1s,4r,5s,6s)-4,5,6-Trihydroxy-3- (Hydroxymethyl)cyclohex-2-En-1-Yl]amino}-Alpha-D- Glucose; 4,6-Dideoxy-4-{[(1s,4r,5s,6s)-4,5,6- Trihydroxy-3-(Hydroxymethyl)cyclohex-2-En-1-Yl]amino}- D-Glucose; 4,6-Dideoxy-4-{[(1s,4r,5s,6s)-4,5,6- Trihydroxy-3-(Hydroxymethyl)cyclohex-2-En-1-Yl]amino}- Glucose] Formula: C₁₃H₃NO₈

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
BGC 1(C)	12	12	0	0	Complete		Chiral checks - OK
GLC 2(C)	12	12	1	0	Complete		Chiral checks - OK
AC1 3(C)	22	22	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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LIGPLOT of interactions involving ligand BGC-GLC-AC1

List of
interactions

BGC 1(C) to AC1 3(C)

(also representing equivalent ligand BGC 1(E) to AC1 3(E) )