Receptor
PDB id Resolution Class Description Source Keywords
3P3Z 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CYTOCHROME P450 MONOOXYGENASE AURH STREPTOMYCES THIOLUTEUS IN COMPLEX WITH ANCYMIDOL STREPTOMYCES THIOLUTEUS CYTOCHROME P450 MONOOXYGENASE OXIDATION FROM DEOXYAUREOTHINAUREOTHIN OXIDOREDUCTASE
Ref.: STRUCTURAL FINE-TUNING OF A MULTIFUNCTIONAL CYTOCHR MONOOXYGENASE. J.AM.CHEM.SOC. V. 133 2292 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:409;
A:410;
A:411;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:407;
A:408;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEM A:501;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
P3Z A:502;
Valid;
none;
submit data
256.3 C15 H16 N2 O2 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P3Z 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CYTOCHROME P450 MONOOXYGENASE AURH STREPTOMYCES THIOLUTEUS IN COMPLEX WITH ANCYMIDOL STREPTOMYCES THIOLUTEUS CYTOCHROME P450 MONOOXYGENASE OXIDATION FROM DEOXYAUREOTHINAUREOTHIN OXIDOREDUCTASE
Ref.: STRUCTURAL FINE-TUNING OF A MULTIFUNCTIONAL CYTOCHR MONOOXYGENASE. J.AM.CHEM.SOC. V. 133 2292 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3P3Z - P3Z C15 H16 N2 O2 COc1ccc(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3P3Z - P3Z C15 H16 N2 O2 COc1ccc(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3P3Z - P3Z C15 H16 N2 O2 COc1ccc(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: P3Z; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 P3Z 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: P3Z; Similar ligands found: 38
No: Ligand Similarity coefficient
1 H3W 0.9360
2 2OH 0.9130
3 27N 0.9097
4 6WT 0.9057
5 0D1 0.9056
6 YTZ 0.9052
7 GVQ 0.9049
8 1OH 0.9007
9 WDT 0.8994
10 0UT 0.8990
11 SFY 0.8952
12 XMS 0.8929
13 CW6 0.8909
14 TQL 0.8877
15 VJP 0.8867
16 6JD 0.8813
17 J6H 0.8787
18 08D 0.8783
19 NPG 0.8778
20 0CZ 0.8753
21 GG5 0.8753
22 29B 0.8751
23 6VY 0.8741
24 1PC 0.8694
25 1EQ 0.8694
26 DP4 0.8694
27 TBL 0.8691
28 I46 0.8675
29 GB1 0.8660
30 B2K 0.8659
31 RF7 0.8632
32 29J 0.8611
33 0QR 0.8608
34 RV1 0.8606
35 48S 0.8591
36 4TK 0.8581
37 0KK 0.8581
38 A08 0.8562
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P3Z; Ligand: P3Z; 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: 3p3z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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