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PDBsum entry 1m1a
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Ligand/metal interactions
PDB id
1m1a
Ligand highlighted
IMT-IMT-PYB-PYB-
ABU-PYB-PYB-PYB-
PYB-BAL-DIB
Ligands
IMT-IMT-PYB-PYB-
ABU-PYB-PYB-PYB-
PYB-BAL-DIB
IMT 1901(J) to DIB 1911(J)
Metals
_MN
×10
MN 310(I)
MN 301(E)
MN 303(I)
MN 305(I)
MN 307(I)
MN 309(I)
MN 302(J)
MN 304(J)
MN 306(J)
MN 308(J)
Ligand
IMT-IMT-PYB-PYB-ABU-PYB-PYB-PYB-PYB-BAL-DIB
IMT
-
4-Amino-(1-Methylimidazole)-2-Carboxylic acid
Formula:
C
5
H
7
N
3
O
2
PYB
-
4-Amino-(1-Methylpyrrole)-2-Carboxylic acid
Formula:
C
6
H
8
N
2
O
2
ABU
-
Gamma-Amino-Butanoic acid [Gamma(amino)-Butyric acid]
Formula:
C
4
H
9
NO
2
BAL
-
Beta-Alanine
Formula:
C
3
H
7
NO
2
DIB
-
3-Amino-(Dimethylpropylamine)
Formula:
C
5
H
14
N
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
IMT 1901(J)
10
9
1
1
1
0
-
-
-
-
IMT 1902(J)
10
10
1
1
0
0
0
0
0
0
PYB 1903(J)
10
10
1
1
0
0
0
0
0
0
PYB 1904(J)
10
10
1
1
0
0
0
0
0
0
ABU 1905(J)
7
7
1
1
0
0
0
0
0
0
PYB 1906(J)
10
10
1
1
0
0
0
0
0
0
PYB 1907(J)
10
10
1
1
0
0
0
0
0
0
PYB 1908(J)
10
10
1
1
0
0
0
0
0
0
PYB 1909(J)
10
10
1
1
0
0
0
0
0
0
BAL 1910(J)
6
-
-
-
-
-
-
-
-
-
DIB 1911(J)
7
7
0
0
0
0
0
0
0
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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3D Viewers:
LIGPLOT
of interactions involving ligand IMT-IMT-PYB-PYB-ABU-PYB-PYB-PYB-PYB-BAL-DIB
List of
interactions
IMT 1901(J) to DIB 1911(J)
_MN
×10
