Receptor
PDB id Resolution Class Description Source Keywords
1N5V 2.24 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND NANAOMYC STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKANANAOMYCIN D STREPTOMYCES COELICOLOR OXIDOREDUCTASE
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
NOM A:1001;
 Valid;
 none;
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300.263 C16 H12 O6 C[C@H...
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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: NOM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NOM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: NOM; Similar ligands found: 151
No: Ligand Similarity coefficient
1 RHN 0.9493
2 1EL 0.9379
3 HNA 0.9324
4 19E 0.9266
5 1TJ 0.9258
6 KMP 0.9250
7 MNX 0.9230
8 SDN 0.9227
9 8SK 0.9226
10 AZN 0.9210
11 EMO 0.9200
12 MRI 0.9190
13 2V4 0.9163
14 IXM 0.9132
15 NRA 0.9123
16 CUE 0.9123
17 1YL 0.9122
18 ADL 0.9107
19 OAL 0.9100
20 9TF 0.9096
21 4HG 0.9073
22 IQZ 0.9065
23 HC8 0.9025
24 BRY 0.9013
25 TXQ 0.9009
26 QUE 0.9007
27 39Z 0.9007
28 AFT 0.9000
29 609 0.8999
30 UN9 0.8978
31 E3U 0.8951
32 DX7 0.8942
33 4E2 0.8933
34 CC6 0.8930
35 AQN 0.8929
36 CZ0 0.8928
37 REF 0.8925
38 NKH 0.8923
39 18E 0.8913
40 M3F 0.8908
41 4E3 0.8907
42 LFN 0.8900
43 MC 0.8899
44 K2C 0.8892
45 MYU 0.8885
46 JRO 0.8883
47 BGC BGC 0.8883
48 GNV 0.8871
49 5XL 0.8870
50 DX2 0.8859
51 BHF 0.8858
52 BL4 0.8855
53 761 0.8851
54 FNT 0.8849
55 FSE 0.8846
56 HWB 0.8843
57 FXB 0.8815
58 B2E 0.8812
59 JTA 0.8809
60 3WL 0.8807
61 MYC 0.8805
62 GRI 0.8804
63 CX6 0.8801
64 CLI 0.8799
65 YEX 0.8799
66 K8W 0.8796
67 34L 0.8790
68 9CE 0.8788
69 27M 0.8782
70 E1K 0.8780
71 BL6 0.8778
72 1WO 0.8776
73 4UB 0.8772
74 6TJ 0.8769
75 824 0.8759
76 LUM 0.8755
77 113 0.8751
78 272 0.8751
79 UXH 0.8750
80 GNJ 0.8746
81 DY9 0.8727
82 OAI 0.8719
83 BGC GAL 0.8718
84 PK3 0.8717
85 AXX 0.8713
86 PQQ 0.8709
87 BA5 0.8705
88 465 0.8704
89 LIG 0.8700
90 EST 0.8698
91 GEN 0.8696
92 1DR 0.8690
93 JWS 0.8690
94 BL7 0.8690
95 GLC GAL 0.8689
96 OPA 0.8689
97 MNY 0.8688
98 KU1 0.8687
99 FXE 0.8686
100 X2M 0.8682
101 HRD 0.8680
102 XM5 0.8678
103 ESM 0.8678
104 AGI 0.8671
105 2AN 0.8670
106 OTA 0.8669
107 IFM BGC 0.8668
108 EQU 0.8667
109 X8E 0.8666
110 BER 0.8665
111 36K 0.8664
112 6BK 0.8662
113 LU2 0.8658
114 II4 0.8649
115 VUP 0.8643
116 COL 0.8642
117 DX8 0.8642
118 E6Q 0.8639
119 TRU 0.8639
120 AHQ 0.8632
121 M3W 0.8631
122 HRM 0.8630
123 2MQ 0.8625
124 NYJ 0.8622
125 517 0.8621
126 3UG 0.8620
127 5NN 0.8620
128 FX5 0.8617
129 BIT 0.8616
130 TCR 0.8616
131 X0T 0.8608
132 6JM 0.8606
133 F40 0.8606
134 LP8 0.8605
135 6JO 0.8603
136 537 0.8597
137 20D 0.8593
138 1V1 0.8591
139 62D 0.8589
140 Q7U 0.8586
141 GHT 0.8579
142 1V4 0.8579
143 TOL 0.8578
144 GCS GCS 0.8574
145 NGV 0.8573
146 SU9 0.8558
147 TQ1 0.8554
148 IDZ 0.8547
149 GNY 0.8545
150 79X 0.8530
151 5SB 0.8517
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
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