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PDBsum entry 1aa5
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Ligand/metal interactions PDB id
1aa5
MLU-OMZ-ASN-GHP-
GHP-OMY-3FG

Ligands
MLU-OMZ-ASN-GHP-
GHP-OMY-3FG ×2
MLU 1(A) to 3FG 7(A)
MLU 1(B) to 3FG 7(B)
BGC-RER ×2
BGC 1(C) to RER 2(C)
BGC 1(D) to RER 2(D)
ACY
ACY 11(A)
Metals
_CL ×4
CL 22(A)
CL 22(B)
CL 21(A)
CL 21(B)
  
Ligand MLU-OMZ-ASN-GHP-GHP-OMY-3FG

MLU - N-Methyl-D-Leucine Formula: C7H15NO2
OMZ - (Betar)-3-Chloro-Beta-Hydroxy-D-Tyrosine Formula: C9H10ClNO4
GHP - (2r)-Amino(4-Hydroxyphenyl)ethanoic acid Formula: C8H9NO3
OMY - (Betar)-3-Chloro-Beta-Hydroxy-L-Tyrosine Formula: C9H10ClNO4
3FG - (2s)-Amino(3,5-Dihydroxyphenyl)ethanoic acid Formula: C8H9NO4
Validation of ligand annotation
Per Residue Validation
Atoms Missing Incorrect Chiral Centres
Residue Dic. Struc. Link Subs. Atoms Rings Planar High C Other
MLU 1(A) 10 10 1 1 Complete Chiral checks - OK
OMZ 2(A) 15 15 1 1 Complete Chiral checks - OK
ASN 3(A) 9 9 1 1 Complete Chiral checks - OK
GHP 4(A) 12 12 1 1 Complete Chiral checks - OK
GHP 5(A) 12 12 1 1 Complete Chiral checks - OK
OMY 6(A) 15 15 1 1 Complete Chiral checks - OK
3FG 7(A) 13 13 0 0 Complete Chiral checks - OK
Advanced Analysis
Residue Name Mismatches Count
MLU 1(A) - 0
OMZ 2(A) - 0
ASN 3(A) O: OXT 1
GHP 4(A) - 0
GHP 5(A) - 0
OMY 6(A) - 0
3FG 7(A) OXT: O|O: OXT 2
Additional Information
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LIGPLOT of interactions involving ligand MLU-OMZ-ASN-GHP-GHP-OMY-3FG

JSmol




List of
interactions
 

MLU 1(A) to 3FG 7(A)
  
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