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PDBsum entry 1sr5
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Ligand/metal interactions PDB id
1sr5
Ligand highlighted
YYB-U9J-GU6-U9M-
U9G-GU8-U9D
Ligands
YYB-U9J-GU6-U9M-
U9G-GU8-U9D
YYB 1(D) to U9D 7(D)
NAG ×3
NAG 501(A)
NAG 502(A)
NAG 503(C)
GU4
GU4 602(C)
  
Ligand YYB-U9J-GU6-U9M-U9G-GU8-U9D

YYB - 1,5-Anhydro-3-O-Methyl-2,6-Di-O-Sulfo-D-Glucitol Formula: C7H14O11S2
U9J - (2r,3r,4s,5s,6r)-6-(Dihydroxymethyl)-3,4- Dimethoxytetrahydro-2h-Pyran-2,5-Diol Formula: C8H16O7
GU6 - 2,3,6-Tri-O-Sulfo-Alpha-D-Glucopyranose [2,3,6-Tri-O-Sulfonato-Alpha-D-Glucopyranose; 2,3,6-Tri- O-Sulfo-Alpha-D-Glucose; 2,3,6-Tri-O-Sulfo-D-Glucose; 2,3,6-Tri-O-Sulfo-Glucose] Formula: C6H12O15S3
U9M - (2r,3r,4s,5s,6s)-6-(Dihydroxymethyl)-3,4- Dimethoxytetrahydro-2h-Pyran-2,5-Diol Formula: C8H16O7
U9G - 2,3-Di-O-Methyl-6-O-Sulfo-Alpha-D-Glucopyranose Formula: C8H16O9S
GU8 - 2,3,6-Tri-O-Methyl-Beta-D-Glucopyranose [2,3,6-Tri-O-Methyl-Beta-D-Glucose; 2,3,6-Tri-O-Methyl- D-Glucose; 2,3,6-Tri-O-Methyl-Glucose] Formula: C9H18O6
U9D - 4-Deoxy-2,3,6-Tri-O-Methyl-Alpha-D-Xylo-Hexopyranose Formula: C9H18O5
Validation of ligand annotation
Per Residue Validation
Atoms Missing Incorrect Chiral Centres
Residue Dic. Struc. Link Subs. Atoms Rings Planar High C Other
YYB 1(D) 20 20 0 0 0 0 0 0 0 0
U9J 2(D) 15 15 1 0 0 0 0 0 0 0
GU6 3(D) 24 24 1 0 0 0 0 0 0 0
U9M 4(D) 15 15 1 0 0 0 0 0 0 0
U9G 5(D) 18 18 1 0 0 0 0 0 0 0
GU8 6(D) 15 13 1 0 2 0 - - - -
U9D 7(D) 14 12 1 0 2 0 - - - -
Advanced Analysis
Residue Name Mismatches Count
YYB 1(D) - 0
U9J 2(D) - 0
GU6 3(D) O15: O13|O13: O14|O18: O17|O16: O18|O21: O19... 6
U9M 4(D) - 0
U9G 5(D) - 0
GU8 6(D) - 0
U9D 7(D) - 0
Additional Information
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  JSmol

LIGPLOT of interactions involving ligand YYB-U9J-GU6-U9M-U9G-GU8-U9D

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List of
interactions
 

YYB 1(D) to U9D 7(D)
  
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