Receptor
PDB id Resolution Class Description Source Keywords
4NXC 1.55 Å NON-ENZYME: TRANSPORT SPERM WHALE MYOGLOBIN UNDER 30 BAR NITROUS OXIDE PHYSETER CATODON GLOBIN OXYGEN TRANSPORT
Ref.: CRYSTALLOGRAPHIC STUDIES WITH XENON AND NITROUS OXI PROVIDE EVIDENCE FOR PROTEIN-DEPENDENT PROCESSES IN MECHANISMS OF GENERAL ANESTHESIA ANESTHESIOLOGY V. 121 1018 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N2O A:207;
A:209;
A:208;
A:210;
 Invalid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
44.013 N2 O N#[N+...
SO4 A:206;
A:205;
A:204;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:202;
A:203;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
HEM A:201;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H07 1.14 Å NON-ENZYME: TRANSPORT COMPLEX OF G65T MYOGLOBIN WITH PHENOL IN ITS PROXIMAL CAVITY PHYSETER CATODON OXYGEN TRANSPORT
Ref.: COMPLEX OF MYOGLOBIN WITH PHENOL BOUND IN A PROXIMA ACTA CRYSTALLOGR.,SECT.F V. 68 1465 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 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-]
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: N2O; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 N2O 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: N2O; Similar ligands found: 17
No: Ligand Similarity coefficient
1 HP4 0.9915
2 SO2 0.9881
3 MSM 0.9707
4 QPT 0.9537
5 BBX 0.9403
6 EDO 0.9398
7 AXO 0.9386
8 GLY 0.9375
9 ACM 0.9242
10 ACT 0.9231
11 BRJ 0.9221
12 SEY 0.9168
13 NOE 0.9130
14 AF3 0.9003
15 OSM 0.8972
16 DCE 0.8715
17 BMM 0.8583
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H07; Ligand: IPH; 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: 4h07.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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