PDBsum entry 1e0o

Ligand/metal interactions

PDB id

1e0o


	Ligand highlighted
	SGN-IDS-SGN-IDS- SGN-IDS-SGN-IDS- SGN-IDS

Ligands

SGN-IDS-SGN-IDS-
SGN-IDS-SGN-IDS-
SGN-IDS

SGN 1(E) to IDS 10(E)

SO4 ×5

Metals

_NI ×5

NI 201(A)

NI 402(B)

NI 404(D)

Ligand SGN-IDS-SGN-IDS-SGN-IDS-SGN-IDS-SGN-IDS

SGN - 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Alpha-D-Glucopyranose [N,O6-Disulfo-Glucosamine; 6-O-Sulfo-N-Sulfo-Alpha-D- Glucosamine; 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Alpha-D- Glucose; 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-D-Glucose; 2-Deoxy-6-O-Sulfo-2-(Sulfoamino)-Glucose] Formula: C₆H₁₃NO₁₁S₂

IDS - 2-O-Sulfo-Alpha-L-Idopyranuronic acid [O2-Sulfo-Glucuronic acid; 2-O-Sulfo-Alpha-L-Iduronic acid; 2-O-Sulfo-L-Iduronic acid; 2-O-Sulfo-Iduronic acid] Formula: C₆HOO₁₀S

Validation of ligand annotation

Per Residue Validation

	Atoms				Missing		Incorrect Chiral Centres
Residue	Dic.	Struc.	Link	Subs.	Atoms	Rings	Planar	High	C	Other
SGN 1(E)	20	20	0	0	0	0	0	0	0	0
IDS 2(E)	17	17	1	0	0	0	0	0	0	0
SGN 3(E)	20	20	1	0	0	0	0	0	0	0
IDS 4(E)	17	17	1	0	0	0	0	0	0	0
SGN 5(E)	20	20	1	0	0	0	0	0	0	0
IDS 6(E)	17	17	1	0	0	0	0	0	0	0
SGN 7(E)	20	20	1	0	0	0	0	0	0	0
IDS 8(E)	17	17	1	0	0	0	0	0	0	0
SGN 9(E)	20	20	1	0	0	0	0	0	0	0
IDS 10(E)	17	16	1	0	1	0	-	-	-	-

Advanced Analysis

Residue	Name Mismatches	Count
SGN 1(E)	O3S: O2S\|O2S: O3S\|O6S: O5S\|O5S: O6S	4
IDS 2(E)	O6B: O6A\|O6A: O6B\|O3S: O2S\|O1S: O3S	4
SGN 3(E)	O3S: O2S\|O2S: O3S	2
IDS 4(E)	O6B: O6A\|O6A: O6B\|O3S: O2S\|O1S: O3S	4
SGN 5(E)	O3S: O1S\|O1S: O3S	2
IDS 6(E)	O6B: O6A\|O6A: O6B\|O3S: O2S\|O1S: O3S	4
SGN 7(E)	O3S: O1S\|O1S: O3S\|O6S: O4S\|O4S: O6S	4
IDS 8(E)	O3S: O1S\|O2S: O3S	2
SGN 9(E)	O3S: O2S\|O2S: O3S\|O6S: O5S\|O5S: O6S	4
IDS 10(E)	O6B: O6A\|O6A: O6B	2

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 SGN-IDS-SGN-IDS-SGN-IDS-SGN-IDS-SGN-IDS

List of
interactions

SGN 1(E) to IDS 10(E)