Receptor
PDB id Resolution Class Description Source Keywords
6vw4 2.35 Å EC: 1.-.-.- 2.35 ANGSTROM STRUCTURE OF CACI_6494 FROM CATENULISPORA ACID COMPLEX WITH S-DNPA CATENULISPORA ACIDIPHILA (STRAIN DSM 4NRRL B-24433 / NBRC 102108 / JCM 14897) NTF2 SUPERFAMILY UNKNOWN FUNCTION
Ref.: STRUCTURAL CHARACTERIZATION OF THREE NONCANONICAL N SUPERFAMILY PROTEINS: IMPLICATIONS FOR POLYKETIDE BIOSYNTHESIS. ACTA CRYSTALLOGR.,SECT.F V. 76 372 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SDN A:201;
 Valid;
 none;
 submit data
286.279 C16 H14 O5 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6VW4 2.35 Å EC: 1.-.-.- 2.35 ANGSTROM STRUCTURE OF CACI_6494 FROM CATENULISPORA ACID COMPLEX WITH S-DNPA CATENULISPORA ACIDIPHILA (STRAIN DSM 4NRRL B-24433 / NBRC 102108 / JCM 14897) NTF2 SUPERFAMILY UNKNOWN FUNCTION
Ref.: STRUCTURAL CHARACTERIZATION OF THREE NONCANONICAL N SUPERFAMILY PROTEINS: IMPLICATIONS FOR POLYKETIDE BIOSYNTHESIS. ACTA CRYSTALLOGR.,SECT.F V. 76 372 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 6VW4 - SDN C16 H14 O5 CC1=C2C(=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 6VW4 - SDN C16 H14 O5 CC1=C2C(=C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6VW4 - SDN C16 H14 O5 CC1=C2C(=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SDN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SDN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: SDN; Similar ligands found: 298
No: Ligand Similarity coefficient
1 OAL 0.9448
2 RHN 0.9448
3 ADL 0.9322
4 1CE 0.9237
5 NOM 0.9227
6 OQR 0.9201
7 1DR 0.9200
8 18E 0.9194
9 GEN 0.9157
10 QUE 0.9157
11 3WL 0.9145
12 68C 0.9139
13 1TJ 0.9123
14 AGI 0.9120
15 O9T 0.9117
16 27F 0.9115
17 DX8 0.9114
18 KMP 0.9114
19 CUE 0.9112
20 AQN 0.9109
21 O9Z 0.9106
22 8SK 0.9095
23 1V0 0.9091
24 AZN 0.9088
25 08C 0.9088
26 OAQ 0.9081
27 0NJ 0.9080
28 1UR 0.9079
29 338 0.9077
30 GJW 0.9057
31 E6Q 0.9057
32 MYU 0.9054
33 1UT 0.9053
34 QNM 0.9050
35 NAR 0.9046
36 6BK 0.9045
37 A63 0.9044
38 Z25 0.9040
39 1UZ 0.9023
40 124 0.9022
41 LU2 0.9019
42 120 0.9019
43 40N 0.9016
44 CR4 0.9009
45 5WW 0.9007
46 HUL 0.9007
47 HWB 0.9005
48 1R5 0.9002
49 AX1 0.9001
50 5XL 0.8997
51 RGK 0.8996
52 609 0.8992
53 NKI 0.8984
54 BMZ 0.8978
55 801 0.8978
56 DQH 0.8971
57 7LU 0.8968
58 HC8 0.8963
59 MRI 0.8952
60 SAU 0.8948
61 MN QAY 0.8944
62 A64 0.8944
63 121 0.8943
64 4HG 0.8942
65 5EZ 0.8940
66 YE7 0.8940
67 LIG 0.8933
68 20D 0.8933
69 WG8 0.8932
70 62D 0.8932
71 1V1 0.8930
72 3F4 0.8930
73 DFL 0.8929
74 G2V 0.8928
75 F36 0.8926
76 V13 0.8921
77 K7H 0.8917
78 97K 0.8916
79 CDJ 0.8913
80 BER 0.8913
81 1V3 0.8912
82 SZ5 0.8912
83 1V4 0.8911
84 KU1 0.8908
85 CTI 0.8904
86 1V8 0.8903
87 5XK 0.8902
88 1EL 0.8902
89 EAA 0.8902
90 A73 0.8901
91 2V4 0.8900
92 P34 0.8898
93 E9L 0.8897
94 L6Y 0.8896
95 ANB 0.8895
96 122 0.8895
97 6VW 0.8890
98 CMP 0.8889
99 FJR 0.8889
100 XAV 0.8889
101 29F 0.8888
102 O9Q 0.8886
103 H2W 0.8886
104 HRD 0.8885
105 25F 0.8882
106 BRY 0.8880
107 E92 0.8880
108 IDZ 0.8878
109 79X 0.8878
110 6ZE 0.8874
111 W8L 0.8873
112 E98 0.8869
113 AOX 0.8868
114 M3W 0.8867
115 DHT 0.8862
116 CWE 0.8862
117 9KZ 0.8861
118 TES 0.8860
119 GVI 0.8860
120 57D 0.8858
121 BUX 0.8857
122 4ZF 0.8857
123 F08 0.8856
124 TFX 0.8853
125 907 0.8850
126 IXM 0.8849
127 WLH 0.8847
128 S98 0.8847
129 DX7 0.8847
130 MYC 0.8847
131 UN9 0.8844
132 06R 0.8841
133 EQU 0.8841
134 EST 0.8840
135 FNT 0.8839
136 2WU 0.8838
137 VT3 0.8836
138 DX2 0.8835
139 0J2 0.8833
140 CC6 0.8833
141 517 0.8831
142 C0V 0.8831
143 ASD 0.8831
144 4CN 0.8828
145 LI7 0.8827
146 AV6 0.8827
147 802 0.8825
148 5ER 0.8825
149 MXM 0.8824
150 135 0.8824
151 0LA 0.8824
152 5SD 0.8823
153 2ZI 0.8823
154 HRM 0.8822
155 TOL 0.8821
156 DH2 0.8820
157 X8I 0.8815
158 AND 0.8808
159 ECS 0.8805
160 FXE 0.8799
161 91F 0.8797
162 272 0.8796
163 FSE 0.8790
164 AOM 0.8789
165 334 0.8789
166 MBT 0.8788
167 YZ9 0.8786
168 E8Z 0.8786
169 IY5 0.8785
170 ALR 0.8771
171 O53 0.8766
172 M3F 0.8765
173 KHC 0.8763
174 ESR 0.8760
175 Z17 0.8757
176 PLO 0.8756
177 X2L 0.8755
178 NRA 0.8755
179 797 0.8752
180 EES 0.8751
181 0SX 0.8750
182 IRH 0.8749
183 BL4 0.8749
184 5XM 0.8747
185 SLX 0.8744
186 ANO 0.8742
187 STR 0.8741
188 19E 0.8740
189 BDT 0.8739
190 ITE 0.8739
191 8M5 0.8738
192 OA4 0.8738
193 P83 0.8738
194 36K 0.8737
195 5TU 0.8734
196 397 0.8727
197 K4T 0.8724
198 39Z 0.8722
199 EMO 0.8720
200 NQ8 0.8719
201 3JC 0.8715
202 AXX 0.8713
203 3AK 0.8711
204 7G2 0.8711
205 RDT 0.8710
206 BXS 0.8709
207 GW3 0.8708
208 SAK 0.8701
209 KWV 0.8701
210 NIF 0.8701
211 6JP 0.8700
212 AOI 0.8699
213 W2E 0.8699
214 AO 0.8696
215 789 0.8692
216 ESM 0.8692
217 3TI 0.8691
218 J3Z 0.8690
219 J8D 0.8690
220 31F 0.8690
221 7FC 0.8687
222 9C8 0.8686
223 YE6 0.8686
224 IXG 0.8682
225 NU3 0.8681
226 17M 0.8680
227 FX5 0.8680
228 3K1 0.8678
229 LUM 0.8677
230 EY2 0.8677
231 6DQ 0.8675
232 8E3 0.8674
233 FJU 0.8672
234 BRZ 0.8662
235 Q7U 0.8660
236 K2C 0.8659
237 6JM 0.8658
238 6FX 0.8655
239 NDD 0.8655
240 DY9 0.8654
241 B2E 0.8653
242 3G5 0.8653
243 UAY 0.8653
244 9OF 0.8653
245 3UG 0.8648
246 A26 0.8648
247 GN5 0.8648
248 OTA 0.8645
249 H4B 0.8645
250 CX6 0.8644
251 ESL 0.8643
252 J45 0.8642
253 52F 0.8642
254 BBP 0.8638
255 Q0K 0.8637
256 F40 0.8636
257 ICD 0.8622
258 R18 0.8620
259 NKH 0.8620
260 BIO 0.8617
261 SGW 0.8614
262 DEH 0.8613
263 IGP 0.8612
264 5TQ 0.8611
265 47X 0.8610
266 JRO 0.8610
267 6JO 0.8609
268 S0J 0.8608
269 1YL 0.8604
270 MRE 0.8604
271 UQ1 0.8604
272 TRU 0.8601
273 7FZ 0.8600
274 M9K 0.8599
275 1VG 0.8594
276 HNT 0.8593
277 X0T 0.8592
278 E1K 0.8591
279 5OR 0.8591
280 M5A 0.8586
281 AP6 0.8582
282 TYP 0.8580
283 16G 0.8579
284 XYP XYP 0.8575
285 FFA 0.8570
286 BHS 0.8565
287 NNF 0.8563
288 ESZ 0.8560
289 JOB 0.8560
290 HBI 0.8559
291 H2B 0.8555
292 3GX 0.8550
293 PJK 0.8543
294 ESJ 0.8542
295 NYJ 0.8541
296 TMP 0.8536
297 EAE 0.8531
298 4B8 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6VW4; Ligand: SDN; 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: 6vw4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6VW4; Ligand: SDN; 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: 6vw4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6VW4; Ligand: SDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6vw4.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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