Receptor
PDB id Resolution Class Description Source Keywords
2O58 1.65 Å NON-ENZYME: TRANSPORT HORSE HEART MET MANGANESE MYOGLOBIN EQUUS CABALLUS HORSE HEART MANGANESE MYOGLOBIN OXIDIZED FORM MANGANESE PROTOPORPHYRIN IX OXYGEN STORAGE-TRANSPORT COMPLEX
Ref.: CRYSTAL STRUCTURES OF MANGANESE- AND COBALT-SUBSTIT MYOGLOBIN IN COMPLEX WITH NO AND NITRITE REVEAL UNU LIGAND CONFORMATIONS. J.INORG.BIOCHEM. V. 102 216 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MNR X:154;
 Valid;
 none;
 submit data
615.58 C34 H32 Mn N4 O4 Cc1c2...
SO4 X:157;
X:158;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2O5L 1.7 Å NON-ENZYME: TRANSPORT MANGANESE HORSE HEART MYOGLOBIN, METHANOL MODIFIED EQUUS CABALLUS MANGANESE MYOGLOBIN MANGANESE PROTOPORPHYRIN IX METHANOL HEART OXYGEN STORAGE-TRANSPORT COMPLEX
Ref.: CRYSTAL STRUCTURES OF MANGANESE- AND COBALT-SUBSTIT MYOGLOBIN IN COMPLEX WITH NO AND NITRITE REVEAL UNU LIGAND CONFORMATIONS. J.INORG.BIOCHEM. V. 102 216 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 2O5L - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
2 2O58 - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
3 2O5M - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
4 2O5O - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 5KD1 - 3QM C9 H11 N O C[C@H](Cc1....
2 3U3E - IPH C6 H6 O c1ccc(cc1)....
3 4H07 - IPH C6 H6 O c1ccc(cc1)....
4 4NXC - N2O N2 O N#[N+][O-]
5 2O5L - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
6 2O58 - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
7 2O5M - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
8 2O5O - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 5KD1 - 3QM C9 H11 N O C[C@H](Cc1....
2 3U3E - IPH C6 H6 O c1ccc(cc1)....
3 4H07 - IPH C6 H6 O c1ccc(cc1)....
4 4NXC - N2O N2 O N#[N+][O-]
5 2O5L - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
6 2O58 - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
7 2O5M - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
8 2O5O - MNR C34 H32 Mn N4 O4 Cc1c2cc3[n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MNR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MNR 1 1
2 COH 0.408 0.968254
Similar Ligands (3D)
Ligand no: 1; Ligand: MNR; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GIX 0.8946
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2O5L; Ligand: MNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2o5l.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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