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PDBsum entry 1jd2
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Ligand/metal interactions PDB id
1jd2
2 instances of ligand highlighted
1QQ-TYR-ASN-R4K-
AKK
Ligands
1QQ-TYR-ASN-R4K-
AKK ×2
1QQ 1(8) to AKK 5(8)
Metals
_MG ×10
MG 2(D)
MG 243(F)
MG 1(G)
MG 224(H)
MG 196(I)
MG 195(L)
MG 188(N)
MG 195(P)
MG 242(F)
MG 195(I)
  
Ligand 1QQ-TYR-ASN-R4K-AKK

1QQ - (3s)-3-Methyl-2-Oxopentanoic acid Formula: C6H10O3
R4K - (2s,3r)-2-Azanyl-3-Hydroxy-3-[(3s)-3-Hydroxy-2-Oxo-1h- Indol-3-Yl]propanoic acid Formula: C11H12N2O5
AKK - (1z)-Prop-1-En-1-Amine Formula: C3H7N
Validation of ligand annotation
Per Residue Validation
Atoms Missing Incorrect Chiral Centres
Residue Dic. Struc. Link Subs. Atoms Rings Planar High C Other
1QQ 1(8) 9 9 1 1 Complete Chiral checks - OK
TYR 2(8) 13 13 1 1 Complete Chiral checks - OK
ASN 3(8) 9 9 1 1 Complete Chiral checks - OK
R4K 4(8) 18 18 1 1 Complete Chiral checks - OK
AKK 5(8) 4 - - - Residue too small to validate
Advanced Analysis
Residue Name Mismatches Count
1QQ 1(8) - 0
TYR 2(8) - 0
ASN 3(8) O: OXT 1
R4K 4(8) - 0
AKK 5(8) - 0
Additional Information
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LIGPLOT of interactions involving ligand 1QQ-TYR-ASN-R4K-AKK

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List of
interactions
 

1QQ 1(8) to AKK 5(8)

(also representing equivalent ligand 1QQ 1(9) to AKK 5(9) )
  
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