Receptor
PDB id Resolution Class Description Source Keywords
3WFD 2.3 Å EC: 1.7.2.5 REDUCED AND ACETALDOXIME-BOUND CYTOCHROME C-DEPENDENT NITRIC REDUCTASE (CNOR) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITF RAGMENT MUS MUSCULUS METAL-BINDING MEMBRANE PROTEIN IMMUNE SYSTEM-OXIDOREDUCTAS
Ref.: STRUCTURES OF REDUCED AND LIGAND-BOUND NITRIC OXIDE REDUCTASE PROVIDE INSIGHTS INTO FUNCTIONAL DIFFEREN RESPIRATORY ENZYMES PROTEINS 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEC C:201;
 Part of Protein;
 none;
 submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
FE B:803;
 Part of Protein;
 none;
 submit data
55.845 Fe [Fe+3...
10M B:805;
B:807;
 Invalid;
Invalid;
 none;
none;
 submit data
498.628 C22 H42 O10 S CCCCC...
HEM B:802;
B:801;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
AXO B:804;
 Valid;
 none;
 submit data
59.067 C2 H5 N O C/C=N...
CA B:806;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WFD 2.3 Å EC: 1.7.2.5 REDUCED AND ACETALDOXIME-BOUND CYTOCHROME C-DEPENDENT NITRIC REDUCTASE (CNOR) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITF RAGMENT MUS MUSCULUS METAL-BINDING MEMBRANE PROTEIN IMMUNE SYSTEM-OXIDOREDUCTAS
Ref.: STRUCTURES OF REDUCED AND LIGAND-BOUND NITRIC OXIDE REDUCTASE PROVIDE INSIGHTS INTO FUNCTIONAL DIFFEREN RESPIRATORY ENZYMES PROTEINS 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WFD - AXO C2 H5 N O C/C=N/O
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3WFD - AXO C2 H5 N O C/C=N/O
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
4 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
5 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
6 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
7 3WFD - AXO C2 H5 N O C/C=N/O
8 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
10 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
11 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AXO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AXO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WFD; Ligand: AXO; 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: 3wfd.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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