Receptor
PDB id Resolution Class Description Source Keywords
5W97 2.3 Å EC: 1.9.3.1 CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINE SERIAL FEMTOSECOND X-RAY CRYSTALLOGRAPHY AT ROOM TEMPERATUR BOS TAURUS BIOENERGETICS PROTON TRANSLOCATION OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINED BY SERIAL FEMTOSECOND X-RAY CRYSTALLOGRA ROOM TEMPERATURE. PROC. NATL. ACAD. SCI. V. 114 8011 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CUA B:302;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
127.092 Cu2 [Cu][...
CHD C:306;
C:302;
B:301;
B:303;
C:301;
J:101;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
408.571 C24 H40 O5 C[C@H...
TGL D:201;
L:101;
A:608;
A:606;
I:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
891.48 C57 H110 O6 CCCCC...
DMU M:101;
C:307;
M:401;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
482.562 C22 H42 O11 CCCCC...
CU A:603;
Part of Protein;
none;
submit data
63.546 Cu [Cu+2...
CDL C:305;
G:101;
G:103;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
1464.04 C81 H156 O17 P2 CCCCC...
HEA A:601;
A:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
852.837 C49 H56 Fe N4 O6 Cc1c2...
PGV C:304;
G:103;
A:606;
C:303;
A:607;
C:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
749.007 C40 H77 O10 P CCCCC...
PEK C:308;
C:302;
C:309;
G:102;
C:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
768.055 C43 H78 N O8 P CCCCC...
CMO A:609;
A:608;
Invalid;
Invalid;
none;
none;
submit data
28.01 C O [C-]#...
PSC B:302;
E:201;
Invalid;
Invalid;
none;
none;
submit data
759.068 C42 H81 N O8 P CCCCC...
ZN F:101;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NA A:605;
Part of Protein;
none;
submit data
22.99 Na [Na+]
MG A:604;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W97 2.3 Å EC: 1.9.3.1 CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINE SERIAL FEMTOSECOND X-RAY CRYSTALLOGRAPHY AT ROOM TEMPERATUR BOS TAURUS BIOENERGETICS PROTON TRANSLOCATION OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINED BY SERIAL FEMTOSECOND X-RAY CRYSTALLOGRA ROOM TEMPERATURE. PROC. NATL. ACAD. SCI. V. 114 8011 2017 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
3 2Y69 - CHD C24 H40 O5 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CHD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CHD 1 1
2 GCH 0.785714 0.714286
3 DXC 0.609195 1
4 JN3 0.6 1
5 4OA 0.478261 0.972222
6 CHO 0.474747 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W97; Ligand: CHD; 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: 5w97.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5W97; Ligand: CHD; 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: 5w97.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5W97; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5w97.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5W97; Ligand: CHD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5w97.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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