Receptor
PDB id Resolution Class Description Source Keywords
2YLD 1.25 Å NON-ENZYME: OTHER RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOS CARBON MONOOXIDE BOUND AT 1.25 A ACHROMOBACTER XYLOSOXIDANS ELECTRON TRANSPORT HAEMOPROTEIN 4-HELIX BUNDLE
Ref.: CARBON MONOXIDE POISONING IS PREVENTED BY THE ENERG OF CONFORMATIONAL CHANGES IN GAS- BINDING HAEMPROTE PROC.NATL.ACAD.SCI.USA V. 108 15780 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASC A:130;
 Invalid;
 none;
 submit data
176.124 C6 H8 O6 C([C@...
CMO A:129;
 Valid;
 none;
 Kd = 3.4 pM
28.01 C O [C-]#...
HEC A:128;
 Part of Protein;
 none;
 submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
SO4 A:131;
A:132;
 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
2YLD 1.25 Å NON-ENZYME: OTHER RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOS CARBON MONOOXIDE BOUND AT 1.25 A ACHROMOBACTER XYLOSOXIDANS ELECTRON TRANSPORT HAEMOPROTEIN 4-HELIX BUNDLE
Ref.: CARBON MONOXIDE POISONING IS PREVENTED BY THE ENERG OF CONFORMATIONAL CHANGES IN GAS- BINDING HAEMPROTE PROC.NATL.ACAD.SCI.USA V. 108 15780 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2YLG Kd = 28 mM CMO C O [C-]#[O+]
2 2YLD Kd = 3.4 pM CMO C O [C-]#[O+]
3 3ZWI - ASC C6 H8 O6 C([C@@H]([....
4 4CIP - ASC C6 H8 O6 C([C@@H]([....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2YLG Kd = 28 mM CMO C O [C-]#[O+]
2 2YLD Kd = 3.4 pM CMO C O [C-]#[O+]
3 3ZWI - ASC C6 H8 O6 C([C@@H]([....
4 4CIP - ASC C6 H8 O6 C([C@@H]([....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2YLG Kd = 28 mM CMO C O [C-]#[O+]
2 2YLD Kd = 3.4 pM CMO C O [C-]#[O+]
3 3ZWI - ASC C6 H8 O6 C([C@@H]([....
4 4CIP - ASC C6 H8 O6 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CMO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CMO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CMO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YLD; Ligand: CMO; 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: 2yld.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YLD; Ligand: CMO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2yld.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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