Receptor
PDB id Resolution Class Description Source Keywords
1N5T 1.9 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND OXIDIZEDD ITHRANOL STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAOXIDIZED ACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDORE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OAL B:1001;
 Valid;
 none;
 submit data
298.247 C16 H10 O6 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N5S 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND ACETYL D STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OAL; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OAL 1 1
2 RHN 0.446154 0.821429
3 ADL 0.442857 0.965517
4 AKV 0.421687 0.72973
Similar Ligands (3D)
Ligand no: 1; Ligand: OAL; Similar ligands found: 139
No: Ligand Similarity coefficient
1 SDN 0.9448
2 L6Y 0.9249
3 2V4 0.9200
4 1EL 0.9158
5 AQN 0.9131
6 6ZE 0.9131
7 AZN 0.9100
8 NOM 0.9100
9 4HG 0.9053
10 GEN 0.9052
11 QNM 0.9040
12 KMP 0.9039
13 KU1 0.9022
14 UN9 0.9002
15 CC6 0.8991
16 8SK 0.8978
17 FXE 0.8972
18 1CE 0.8950
19 0HY 0.8950
20 FNT 0.8948
21 1TJ 0.8939
22 TXQ 0.8898
23 M3W 0.8895
24 5XL 0.8886
25 19E 0.8876
26 IXM 0.8869
27 NAR 0.8861
28 AGI 0.8847
29 68C 0.8846
30 3WL 0.8843
31 WG8 0.8841
32 ARH 0.8833
33 V13 0.8830
34 QUE 0.8826
35 MN QAY 0.8826
36 BL4 0.8822
37 DH2 0.8818
38 P83 0.8818
39 6JM 0.8817
40 MRI 0.8817
41 6JO 0.8814
42 5XM 0.8810
43 5WW 0.8805
44 609 0.8803
45 CUE 0.8800
46 B52 0.8793
47 EST 0.8792
48 667 0.8791
49 EY2 0.8790
50 Q0K 0.8785
51 9TF 0.8783
52 VT3 0.8782
53 OAQ 0.8769
54 GJW 0.8768
55 DX2 0.8765
56 3QI 0.8764
57 EMO 0.8760
58 0J2 0.8759
59 M3F 0.8758
60 Z25 0.8747
61 E6Q 0.8746
62 CWE 0.8742
63 EAA 0.8731
64 CDJ 0.8729
65 824 0.8729
66 W8L 0.8725
67 E1K 0.8723
68 B2E 0.8721
69 X8I 0.8721
70 JRO 0.8720
71 18E 0.8718
72 Z17 0.8715
73 6BK 0.8715
74 0SX 0.8714
75 H2W 0.8711
76 ALR 0.8709
77 YEX 0.8707
78 L07 0.8707
79 BIT 0.8702
80 C09 0.8700
81 WLH 0.8698
82 7JB 0.8695
83 LU2 0.8693
84 5XK 0.8690
85 CZ0 0.8686
86 6QT 0.8685
87 X0T 0.8682
88 XG1 0.8678
89 E9L 0.8677
90 AUG 0.8677
91 LFN 0.8675
92 E09 0.8671
93 3UG 0.8670
94 BGC BGC 0.8668
95 NRA 0.8665
96 UQ1 0.8661
97 20D 0.8659
98 D87 0.8658
99 517 0.8656
100 BJ4 0.8655
101 OQR 0.8654
102 MYU 0.8649
103 0LA 0.8649
104 YZ9 0.8645
105 1YL 0.8643
106 6WL 0.8640
107 AUE 0.8632
108 08C 0.8632
109 2QV 0.8631
110 4NR 0.8628
111 BA5 0.8622
112 CX6 0.8622
113 5NN 0.8610
114 KN1 0.8610
115 7FC 0.8607
116 0J4 0.8606
117 BL7 0.8605
118 GW3 0.8604
119 FSE 0.8602
120 3G5 0.8595
121 E3U 0.8592
122 RGK 0.8592
123 OTA 0.8590
124 IQW 0.8589
125 57D 0.8587
126 5EZ 0.8585
127 SGW 0.8576
128 MPU 0.8572
129 O82 0.8570
130 IXG 0.8561
131 0NH 0.8557
132 22T 0.8548
133 D80 0.8544
134 1DR 0.8540
135 COL 0.8539
136 7LU 0.8536
137 2QU 0.8524
138 STR 0.8518
139 3JC 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N5S; Ligand: ADL; 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: 1n5s.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback