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PDBsum entry 1xmn
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Ligand/metal interactions PDB id
1xmn
Ligand highlighted
IDS-SGN-IDS-SGN-
IDS-SGN
Ligands
IDS-SGN-IDS-SGN-
IDS-SGN
IDS 1(I) to SGN 6(I)
NAG-NAG
NAG 1(J) to NAG 2(J)
SGN-IDS-SGN-IDS-
SGN
SGN 1(K) to SGN 5(K)
NAG-NDG ×2
NAG 1(L) to NDG 2(L)
NAG 1(M) to NDG 2(M)
NAG-NAG-BMA-MAN-
MAN
NAG 1(N) to MAN 5(N)
0G6 ×4
0G6 1(B)
GOL ×8
GOL 1001(B)
GOL 1008(B)
GOL 1002(D)
GOL 1004(D)
GOL 1003(F)
GOL 1006(F)
GOL 1005(H)
Metals
_NA ×4
NA 3004(B)
  
Ligand IDS-SGN-IDS-SGN-IDS-SGN

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
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
Validation of ligand annotation
Per Residue Validation
Atoms Missing Incorrect Chiral Centres
Residue Dic. Struc. Link Subs. Atoms Rings Planar High C Other
IDS 1(I) 17 17 0 0 0 0 0 0 0 0
SGN 2(I) 20 20 1 0 0 0 0 0 0 0
IDS 3(I) 17 17 1 0 0 0 0 0 0 0
SGN 4(I) 20 20 1 0 0 0 0 0 0 0
IDS 5(I) 17 17 1 0 0 0 0 0 0 0
SGN 6(I) 20 19 1 0 1 0 - - - -
Advanced Analysis
Residue Name Mismatches Count
IDS 1(I) O3S: O2S|O1S: O3S 2
SGN 2(I) O3S: O1S|O1S: O3S|O6S: O4S|O4S: O6S 4
IDS 3(I) O6B: O6A|O6A: O6B 2
SGN 4(I) O3S: O1S|O1S: O3S|O6S: O4S|O5S: O6S 4
IDS 5(I) O6B: O6A|O6A: O6B|O3S: O2S|O1S: O3S 4
SGN 6(I) O3S: O1S|O1S: O3S|O6S: O4S|O5S: O6S 4
Additional Information
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LIGPLOT of interactions involving ligand IDS-SGN-IDS-SGN-IDS-SGN

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List of
interactions
 

IDS 1(I) to SGN 6(I)
  
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