-->
Receptor
PDB id Resolution Class Description Source Keywords
2IPI 1.65 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ACLACINOMYCIN OXIDOREDUCTASE STREPTOMYCES GALILAEUS ANTHRACYCLINE ACLACINOMYCIN OXIDOREDUCTASE FLAVOENZYME TWINNING MAD
Ref.: STRUCTURE DETERMINATION BY MULTIWAVELENGTH ANOMALOUS DIFFRACTION OF ACLACINOMYCIN OXIDOREDUCTASE: INDICATIONS OF MULTIDOMAIN PSEUDOMEROHEDRAL TWINNING. ACTA CRYSTALLOGR.,SECT.D V. 63 149 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKY A:601;
Valid;
none;
submit data
811.868 C42 H53 N O15 CC[C@...
FAD A:801;
B:801;
C:801;
D:801;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IPI 1.65 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF ACLACINOMYCIN OXIDOREDUCTASE STREPTOMYCES GALILAEUS ANTHRACYCLINE ACLACINOMYCIN OXIDOREDUCTASE FLAVOENZYME TWINNING MAD
Ref.: STRUCTURE DETERMINATION BY MULTIWAVELENGTH ANOMALOUS DIFFRACTION OF ACLACINOMYCIN OXIDOREDUCTASE: INDICATIONS OF MULTIDOMAIN PSEUDOMEROHEDRAL TWINNING. ACTA CRYSTALLOGR.,SECT.D V. 63 149 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2Y3S - TIR C22 H29 N O6 C[C@H]1[C@....
2 2Y3R - TIR C22 H29 N O6 C[C@H]1[C@....
3 2Y4G - TIR C22 H29 N O6 C[C@H]1[C@....
4 5AWV - T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN n/a n/a
5 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
6 3PQB - VGP C27 H28 O9 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKY; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKY 1 1
2 DRA 0.81203 0.967213
3 AKA 0.70922 1
4 3VL 0.69697 0.95
5 VAK 0.492537 0.616667
6 AKT 0.459459 0.933333
7 ERT 0.407643 0.95
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IPI; Ligand: AKY; Similar sites found with APoc: 24
This union binding pocket(no: 1) in the query (biounit: 2ipi.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4P42 PEE 1.89873
2 1X7D ORN 2
3 1EWF PC1 2.19298
4 4WOE ADP 2.4952
5 2D6M LBT 2.51572
6 5GLT BGC GAL NAG GAL 3.16901
7 5X20 AOT 3.20513
8 4YLZ LAT NAG GAL 3.26797
9 1J3R 6PG 4.21053
10 3VV1 GAL FUC 5
11 3E8T UQ8 5
12 3ZXE PGZ 5.26316
13 1ULE GLA GAL NAG 5.33333
14 2VQ5 HBA 5.47264
15 6FOF LAT 5.61225
16 3QRC SCR 7.00637
17 1QKQ MAN 8.4507
18 3L5R 47X 9.01639
19 4WVW SLT 9.02778
20 3E85 BSU 9.49367
21 2AG4 LP3 13.4146
22 2AG4 OLA 13.4146
23 3FW9 SLX 15.7576
24 4RYV ZEA 17.4194
APoc FAQ
Feedback