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PDBsum entry 6pmd
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Ligand/metal interactions PDB id
6pmd
11 instances of ligand highlighted
SHV-WFP-SER-PRO-
YCP-ALA-MP8
Ligands
SHV-WFP-SER-PRO-
YCP-ALA-MP8 ×11
SHV 1(H) to MP8 7(H)
SHV 1(R) to MP8 7(R)
MPD ×14
MPD 400(A)
  
Ligand SHV-WFP-SER-PRO-YCP-ALA-MP8

SHV - Heptanoic acid Formula: C7H14O2
WFP - 3,5-Difluoro-L-Phenylalanine Formula: C9H9F2NO2
YCP - (2s)-Piperidine-2-Carboxylic acid Formula: C6H11NO2
MP8 - (4r)-4-Methyl-L-Proline Formula: C6H11NO2
Validation of ligand annotation
Per Residue Validation
Atoms Missing Incorrect Chiral Centres
Residue Dic. Struc. Link Subs. Atoms Rings Planar High C Other
SHV 1(H) 9 9 1 1 0 0 0 0 0 0
WFP 2(H) 14 14 1 1 0 0 0 0 0 0
SER 3(H) 7 6 0 0 1 0 - - - -
PRO 4(H) 8 8 1 1 0 0 0 0 0 0
YCP 5(H) 9 9 1 1 0 0 0 0 0 0
ALA 6(H) 6 - - - - - - - - -
MP8 7(H) 9 9 1 0 0 0 0 0 0 0
Advanced Analysis
Residue Name Mismatches Count
SHV 1(H) - 0
WFP 2(H) - 0
SER 3(H) CB: C|OG: O|C: CB|O: OG 4
PRO 4(H) - 0
YCP 5(H) - 0
ALA 6(H) - 0
MP8 7(H) O: OXT 1
Additional Information
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  JSmol

LIGPLOT of interactions involving ligand SHV-WFP-SER-PRO-YCP-ALA-MP8

JSmol




List of
interactions
 

SHV 1(H) to MP8 7(H)

also representing 9 other equivalent ligands:
SHV 1(J) to MP8 7(J)
SHV 1(O) to MP8 7(O)
SHV 1(P) to MP8 7(P)
SHV 1(Q) to MP8 7(Q)
SHV 1(U) to MP8 7(U)
SHV 1(V) to MP8 7(V)
SHV 1(X) to MP8 7(X)
SHV 1(Y) to MP8 7(Y)
SHV 1(Z) to MP8 7(Z)
  
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