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PDBsum entry 1fq9

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Ligand/metal interactions PDB id
1fq9
Ligand highlighted
SGN-IDU-SGN-IDS-
SGN-IDS-SGN-UAP
Ligands
SGN-IDU-SGN-IDS-
SGN-IDS-SGN-UAP
SGN 1(E) to UAP 8(E)
SGN-IDS-SGN-IDS-
SGN-UAP
SGN 1(F) to UAP 6(F)
  
Ligand SGN-IDU-SGN-IDS-SGN-IDS-SGN-UAP

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
IDU - 2-O-Sulfo-Beta-L-Altropyranuronic acid [2-O-Sulfo-Beta-L-Altruronic acid; 2-O-Sulfo-L- Altruronic acid; 2-O-Sulfo-Altruronic acid] Formula: C6H10O10S
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
UAP - 4-Deoxy-2-O-Sulfo-Alpha-L-Threo-Hex-4-Enopyranuronic acid [4-Deoxy-2-O-Sulfo-Alpha-L-Threo-Hex-4-Enuronic acid; 4- Deoxy-2-O-Sulfo-L-Threo-Hex-4-Enuronic acid; 4-Deoxy- 2-O-Sulfo-Threo-Hex-4-Enuronic acid] Formula: C6H8O9S
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
IDU 2(E) 17 17 2 0 0 0 0 0 0 0
SGN 3(E) 20 20 0 0 0 0 0 0 1 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
UAP 8(E) 16 16 1 0 0 0 0 0 0 0
Advanced Analysis
Residue Name Mismatches Count
SGN 1(E) - 0
IDU 2(E) - 0
SGN 3(E) - 0
IDS 4(E) O3S: O1S|O1S: O3S 2
SGN 5(E) O6S: O4S|O5S: O6S 2
IDS 6(E) O3S: O2S|O2S: O3S 2
SGN 7(E) O3S: O1S|O2S: O3S 2
UAP 8(E) O3S: O1S|O1S: O2S 2
Additional Information
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  JSmol

LIGPLOT of interactions involving ligand SGN-IDU-SGN-IDS-SGN-IDS-SGN-UAP

JSmol




List of
interactions
 


SGN 1(E) to UAP 8(E)
  
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