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PDBsum entry 1s32

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Ligand/metal interactions PDB id
1s32
2 instances of ligand highlighted
IMT-PYB-IMT-PYB-
ABU-PYB-PYB-PYB-
PYB-BAL-DIB
Ligands
IMT-PYB-IMT-PYB-
ABU-PYB-PYB-PYB-
PYB-BAL-DIB
×2
IMT 1601(I) to DIB 1611(I)
IMT 1621(I) to DIB 1631(I)
OGG
OGG 1700(J)
Metals
_CL ×4
CL 2017(A)
CL 2018(D)
CL 2015(E)
CL 2016(G)
_MN ×14
MN 2003(I)
MN 2004(I)
MN 2006(I)
MN 2007(I)
MN 2009(I)
MN 2012(I)
MN 2014(I)
MN 2002(J)
MN 2005(J)
MN 2008(J)
MN 2010(J)
MN 2011(J)
MN 2013(J)
MN 2001(E)
  
Ligand IMT-PYB-IMT-PYB-ABU-PYB-PYB-PYB-PYB-BAL-DIB

IMT - 4-Amino-(1-Methylimidazole)-2-Carboxylic acid Formula: C5H7N3O2
PYB - 4-Amino-(1-Methylpyrrole)-2-Carboxylic acid Formula: C6H8N2O2
ABU - Gamma-Amino-Butanoic acid [Gamma(amino)-Butyric acid] Formula: C4H9NO2
BAL - Beta-Alanine Formula: C3H7NO2
DIB - 3-Amino-(Dimethylpropylamine) Formula: C5H14N2
Validation of ligand annotation
Per Residue Validation
Atoms Missing Incorrect Chiral Centres
Residue Dic. Struc. Link Subs. Atoms Rings Planar High C Other
IMT 1601(I) 10 9 1 1 1 0 - - - -
PYB 1602(I) 10 10 1 1 0 0 0 0 0 0
IMT 1603(I) 10 10 1 1 0 0 0 0 0 0
PYB 1604(I) 10 10 1 1 0 0 0 0 0 0
ABU 1605(I) 7 7 1 1 0 0 0 0 0 0
PYB 1606(I) 10 10 1 1 0 0 0 0 0 0
PYB 1607(I) 10 10 1 1 0 0 0 0 0 0
PYB 1608(I) 10 10 1 1 0 0 0 0 0 0
PYB 1609(I) 10 10 1 1 0 0 0 0 0 0
BAL 1610(I) 6 - - - - - - - - -
DIB 1611(I) 7 7 0 0 0 0 0 0 0 0
Additional Information
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LIGPLOT of interactions involving ligand IMT-PYB-IMT-PYB-ABU-PYB-PYB-PYB-PYB-BAL-DIB

JSmol




List of
interactions
 


IMT 1601(I) to DIB 1611(I)
  
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