PDBsum entry 1jg3

Ligand/metal interactions

PDB id

1jg3


	2 instances of ligand highlighted
	VAL-TYR-PRO-IAS- HIS-ALA

Ligands

VAL-TYR-PRO-IAS-
HIS-ALA ×2

VAL 1(C) to ALA 6(C)

ADN ×2

Metals

_CL ×2

_NA ×2

Ligand VAL-TYR-PRO-IAS-HIS-ALA - Beta-L-Aspartic acid
[L-Aspartic acid]
Formula: C₄H₇NO₄

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
VAL 1(C)	8	8	1	1	Complete		Chiral checks - OK
TYR 2(C)	13	13	1	1	Complete		Chiral checks - OK
PRO 3(C)	8	8	1	1	Complete		Chiral checks - OK
IAS 4(C)	9	9	1	1	Complete		Chiral checks - OK
HIS 5(C)	11	11	1	1	Complete		Chiral checks - OK
ALA 6(C)	6	-	-	-	Residue too small to validate

Advanced Analysis

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 protein L-isoaspartate with similarity 61.54%

LIGPLOT of interactions involving ligand VAL-TYR-PRO-IAS-HIS-ALA

List of
interactions

VAL 1(C) to ALA 6(C)

(also representing equivalent ligand VAL 1(D) to ALA 6(D) )