PDBsum entry 4gm3

Ligand/metal interactions

PDB id

4gm3


	8 instances of ligand highlighted
	ALQ-0XL-ARG-AC5- 0XM

Ligands

ALQ-0XL-ARG-AC5-
0XM ×8

ALQ 1(I) to 0XM 5(I)

Ligand ALQ-0XL-ARG-AC5-0XM

ALQ - 2-Methyl-Propionic acid Formula: C₄H₈₂O₂

0XL - 2-Amino-2-Ethylbutanoic acid Formula: C₆H₁₃NO₂

AC5 - 1-Aminocyclopentanecarboxylic acid [Cyclo-Leucine] Formula: C₆H₁₁NO₂

0XM - 1,1-Diphenylmethanamine Formula: C₁₃H₁₃N

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
ALQ 1(I)	6	-	-	-	Residue too small to validate
0XL 2(I)	9	9	1	1	Complete		Chiral checks - OK
ARG 3(I)	12	12	1	1	Complete		Chiral checks - OK
AC5 4(I)	9	9	1	1	Complete		Chiral checks - OK
0XM 5(I)	14	14	0	0	Complete		Chiral checks - OK

Advanced Analysis

Residue	Name Mismatches	Count
ALQ 1(I)	-	0
0XL 2(I)	-	0
ARG 3(I)	-	0
AC5 4(I)	O: OXT	1
0XM 5(I)	-	0

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 ALQ-0XL-ARG-AC5-0XM

List of
interactions

ALQ 1(I) to 0XM 5(I)

also representing 7 other equivalent ligands:
ALQ 1(J) to 0XM 5(J)
ALQ 1(K) to 0XM 5(K)
ALQ 1(L) to 0XM 5(L)
ALQ 1(M) to 0XM 5(M)
ALQ 1(N) to 0XM 5(N)
ALQ 1(O) to 0XM 5(O)
ALQ 1(P) to 0XM 5(P)