Receptor
PDB id Resolution Class Description Source Keywords
6G5Q 2.4 Å EC: 1.14.15.- THE STRUCTURE OF A CARBOHYDRATE ACTIVE P450 ZOBELLIA GALACTANIVORANS P450 MONOOXYGENASE CARBOHYDRATE-ACTIVE ENZYME OXIDOREDUCT
Ref.: SPECIFICITY AND MECHANISM OF CARBOHYDRATE DEMETHYLA CYTOCHROME P450 MONOOXYGENASES. BIOCHEM. J. V. 475 3875 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM B:403;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
EMZ B:402;
A:401;
Valid;
Valid;
none;
none;
Kd = 0.98 mM
194.182 C7 H14 O6 COC[C...
GOL B:401;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6G5Q 2.4 Å EC: 1.14.15.- THE STRUCTURE OF A CARBOHYDRATE ACTIVE P450 ZOBELLIA GALACTANIVORANS P450 MONOOXYGENASE CARBOHYDRATE-ACTIVE ENZYME OXIDOREDUCT
Ref.: SPECIFICITY AND MECHANISM OF CARBOHYDRATE DEMETHYLA CYTOCHROME P450 MONOOXYGENASES. BIOCHEM. J. V. 475 3875 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6G5Q Kd = 0.98 mM EMZ C7 H14 O6 COC[C@@H]1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6G5Q Kd = 0.98 mM EMZ C7 H14 O6 COC[C@@H]1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6G5Q Kd = 0.98 mM EMZ C7 H14 O6 COC[C@@H]1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EMZ; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 EMZ 1 1
2 BGP 0.55 0.636364
3 G6P 0.55 0.636364
4 BG6 0.55 0.636364
5 M6P 0.55 0.636364
6 M6D 0.55 0.636364
7 A6P 0.55 0.636364
8 BGC 0.472222 0.794118
9 GLA 0.472222 0.794118
10 GLC 0.472222 0.794118
11 GAL 0.472222 0.794118
12 GXL 0.472222 0.794118
13 MAN 0.472222 0.794118
14 BMA 0.472222 0.794118
15 GIV 0.472222 0.794118
16 ALL 0.472222 0.794118
17 WOO 0.472222 0.794118
18 MAN BMA 0.458333 0.783784
19 BMA GLA 0.458333 0.783784
20 GLC GLC 0.458333 0.783784
21 BGC GLC 0.458333 0.783784
22 MLB 0.458333 0.783784
23 GLA BMA 0.458333 0.783784
24 GAL GLC 0.458333 0.783784
25 GAL GAL 0.458333 0.783784
26 GLA GLC 0.458333 0.783784
27 GLC BGC 0.458333 0.783784
28 MAN MAN 0.458333 0.783784
29 BGC GLA 0.458333 0.783784
30 BMA MAN 0.458333 0.783784
31 GLA BGC 0.458333 0.783784
32 LAK 0.458333 0.783784
33 GLC GLC GLC GLC BGC 0.44 0.783784
34 MAN MAN MAN 0.44 0.783784
35 GLC GLC GLC 0.44 0.783784
36 BMA MAN MAN 0.44 0.783784
37 GLC GLC GLC GLC GLC BGC 0.44 0.783784
38 9R2 0.418182 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6G5Q; Ligand: EMZ; 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: 6g5q.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6G5Q; Ligand: EMZ; 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: 6g5q.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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