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Receptor
PDB id Resolution Class Description Source Keywords
3LLI 2.05 Å EC: 1.8.3.2 SULFHYDRYL OXIDASE FRAGMENT OF HUMAN QSOX1 HOMO SAPIENS SULFHYDRYL OXIDASE FLAVIN ADENINE DINUCLEOTIDE DISULFIDE FLAVOPROTEIN GLYCOPROTEIN GOLGI APPARATUS OXIDOREDUCTASESECRETED
Ref.: QSOX CONTAINS A PSEUDO-DIMER OF FUNCTIONAL AND DEGE SULFHYDRYL OXIDASE DOMAINS. FEBS LETT. V. 584 1521 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:550;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LLI 2.05 Å EC: 1.8.3.2 SULFHYDRYL OXIDASE FRAGMENT OF HUMAN QSOX1 HOMO SAPIENS SULFHYDRYL OXIDASE FLAVIN ADENINE DINUCLEOTIDE DISULFIDE FLAVOPROTEIN GLYCOPROTEIN GOLGI APPARATUS OXIDOREDUCTASESECRETED
Ref.: QSOX CONTAINS A PSEUDO-DIMER OF FUNCTIONAL AND DEGE SULFHYDRYL OXIDASE DOMAINS. FEBS LETT. V. 584 1521 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3LLK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3LLI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3LLK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3LLI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3LLK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3LLI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LLI; Ligand: FAD; Similar sites found with APoc: 238
This union binding pocket(no: 1) in the query (biounit: 3lli.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 4WG0 CHD None
3 4I67 G G G RPC None
4 5M36 9SZ None
5 4RJD TFP None
6 1S8G DAO None
7 2CB8 MYA None
8 5UC4 83S None
9 3KP6 SAL None
10 3KO0 TFP None
11 1L0I PSR None
12 6D28 NEC 0.766284
13 1NF8 BOG 1.44928
14 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 1.53257
15 5B0I BOG 1.53257
16 4ZGM 32M 1.63934
17 4WKI 3PW 1.70213
18 5I8F ML1 1.81818
19 2GJ5 VD3 1.85185
20 5X80 SAL 1.875
21 4URX FK1 1.91571
22 2GWH PCI 1.91571
23 6BVM EBV 1.91571
24 6BVK EAV 1.91571
25 6BVJ EAS 1.91571
26 6BVI EC4 1.91571
27 2ATJ BHO 1.91571
28 6BVL EBY 1.91571
29 3SQP 3J8 1.91571
30 1E4I NFG 1.91571
31 2X24 X24 1.91571
32 1ZPD CIT 1.91571
33 1UUO BRF 1.91571
34 6D5H FV7 1.91571
35 1G5N UAP SGN IDS SGN 1.91571
36 1UUO FMN 1.91571
37 1UUO ORO 1.91571
38 6D59 FVJ 1.91571
39 3NFD COA 1.96078
40 6BR8 6OU 1.98413
41 6BR8 PGV 1.98413
42 5ICK FEZ 2.18341
43 5AWM ANP 2.29885
44 6H8S FSZ 2.29885
45 3IA4 MTX 2.46914
46 2GBB CIT 2.5641
47 4F4S EFO 2.63158
48 1TV5 N8E 2.68199
49 4OKD GLC GLC GLC 2.68199
50 1GNI OLA 2.68199
51 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.92887
52 3B6C SDN 2.99145
53 5KAU RHQ 3.0303
54 3O01 DXC 3.06513
55 2HHP FLC 3.06513
56 1FX8 BOG 3.06513
57 5KD8 TNR 3.06513
58 2WPX ACO 3.06513
59 5EY0 GTP 3.06513
60 2WPW ACO 3.06513
61 1HBK MYR 3.37079
62 1HBK COA 3.37079
63 1YC4 43P 3.40909
64 3TDC 0EU 3.44828
65 5OKL PAM 3.44828
66 5AZC PGT 3.44828
67 2I0G I0G 3.44828
68 3X01 AMP 3.44828
69 1YYE 196 3.44828
70 4DE3 DN8 3.44828
71 5AHS COA 3.44828
72 4URN NOV 3.55556
73 4JWK CTN 3.62694
74 4DK7 0KS 3.64372
75 1PU7 39A 3.66972
76 1U3R 338 3.73444
77 4J24 EST 3.75
78 5NTP 98E 3.78151
79 1W55 GPP 3.83142
80 5LX9 OLB 3.83142
81 2RH1 CLR 3.83142
82 4JZX 476 3.83142
83 4RW3 TDA 3.83142
84 5OSW AE4 3.83142
85 5OSW DIU 3.83142
86 5WGQ EST 3.83142
87 5DXG EST 3.83142
88 3H4L ANP 3.83142
89 5DXE EST 3.83142
90 1KNM LAT 3.84615
91 2QA8 GEN 3.87597
92 5HYR EST 3.87597
93 6FS8 E4Z 3.90244
94 4MGA 27L 3.92157
95 2O5L MNR 3.92157
96 4MG8 27J 3.92157
97 4MGB XDH 3.92157
98 4TUZ 36J 3.92157
99 4MG9 27K 3.92157
100 5IXK 6EW 3.94737
101 2BJ4 OHT 3.96825
102 5AAV GW5 3.96825
103 4OIV XX9 3.9823
104 4TV1 36M 3.98406
105 3UUA 0CZ 3.98406
106 2QE4 JJ3 4.03226
107 5DKK FMN 4.13793
108 3IX9 MTX 4.21053
109 3AI3 SOE 4.21456
110 1TMX HGX 4.21456
111 1ZED PNP 4.21456
112 6BR9 PGV 4.21456
113 4G86 BNT 4.21456
114 5V3Y 5V8 4.21456
115 1DTL BEP 4.34783
116 4E2J MOF 4.4
117 3AHQ FAD 4.5977
118 4IA6 EIC 4.5977
119 1NHZ 486 4.5977
120 1ID0 ANP 4.60526
121 1M2Z BOG 4.66926
122 2E3N 6CM 4.70588
123 2CFC KPC 4.8
124 2BCG GER 4.85437
125 2E2R 2OH 4.91803
126 6BTN E8M 4.9505
127 6CB2 OLC 4.98084
128 5C9J DAO 4.98084
129 3M31 FAD 4.98084
130 3NB0 G6P 4.98084
131 6DIO CIT 4.98084
132 2HZL PYR 4.98084
133 4MRP GSH 4.98084
134 4DA5 0H7 4.98084
135 3EE4 MYR 4.98084
136 2XN5 FUN 4.98084
137 4EIL FOL 4.98084
138 2WOR 2AN 5
139 1SBR VIB 5
140 1SR7 MOF 5.01931
141 4OAR 2S0 5.03876
142 2BHW NEX 5.17241
143 5EE7 5MV 5.36398
144 5TWO 7MV 5.36398
145 2HFP NSI 5.36398
146 2JC9 ADN 5.36398
147 2Z7I 742 5.36398
148 3AJ6 NGA 5.36398
149 5X3R 7Y3 5.36585
150 3FAL REA 5.3719
151 1RDT 570 5.3719
152 5TVI MYR 5.43478
153 5TVI O8N 5.43478
154 1FM9 9CR 5.46218
155 1DKF BMS 5.5794
156 6CGN DA 5.74713
157 6APF CIT 5.74713
158 1XZ3 ICF 5.74713
159 2Q4G CIT 5.74713
160 2A9G ARG 5.74713
161 2JHP GUN 5.74713
162 2GJ3 FAD 5.83333
163 4NB5 2JT 5.84795
164 5ZZB LAB 5.88235
165 2VWA PTY 5.94059
166 5FQK 6NT 5.94796
167 1TIQ COA 6.11111
168 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.13027
169 3SP6 IL2 6.13027
170 3HP9 CF1 6.13027
171 1K7L 544 6.13027
172 3HQ9 OXL 6.13027
173 3FEI CTM 6.13027
174 3ET1 ET1 6.13027
175 5MWE TCE 6.17284
176 5UC9 MYR 6.19469
177 4NSQ COA 6.31579
178 5OCA 9QZ 6.34921
179 4O4Z N2O 6.49351
180 2NPA MMB 6.51341
181 4LY9 1YY 6.51341
182 1XVB 3BR 6.51341
183 4LY9 S6P 6.51341
184 4IN9 SER TRP PHE PRO 6.62651
185 5DQW ADP 6.63507
186 6GMN F4E 6.79012
187 5WL1 D3D 6.89655
188 5WL1 CUY 6.89655
189 3PMA SCR 6.94981
190 4V1F BQ1 6.97674
191 1T0S BML 6.97674
192 1R6N 434 7.109
193 4WGF HX2 7.31707
194 5XJ7 87O 7.46269
195 4V3I ASP LEU THR ARG PRO 7.66284
196 3W54 RNB 7.66284
197 4DXJ 0M9 7.66284
198 2PRG BRL 7.95455
199 1R89 CTP 8.04598
200 4ORM ORO 8.04598
201 4ORM 2V6 8.04598
202 4ORM FMN 8.04598
203 5NNT DPV 8.10811
204 4UA3 COA 8.24742
205 2WDQ CBE 8.40336
206 5DX3 EST 8.42912
207 2HFK E4H 9.1954
208 5LWY OLB 9.34579
209 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 9.57854
210 4QWT ACD 9.57854
211 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 9.80392
212 5E70 RCD 9.96169
213 4IBF 1D5 10.0775
214 3DFR MTX 10.4938
215 4YSX E23 11.1702
216 4OAS 2SW 11.4583
217 1GEG GLC 11.7188
218 4LWU 20U 11.7647
219 3P9T TCL 12.3288
220 3KPE TM3 12.8205
221 5NM7 GLY 13.1579
222 3UST FAD 13.41
223 5C1M OLC 13.7931
224 2Q4X HMH 14.0271
225 4OGQ 7PH 14.375
226 4OGQ SQD 14.375
227 1OQC FAD 16.8
228 2ZQO NGA 17.6923
229 5Z84 CHD 20
230 5ZCO CHD 20
231 5W97 CHD 20
232 5DJU FMN 21.3115
233 3EYK EYK 22.6744
234 1JR8 FAD 23.0769
235 2Y69 CHD 23.75
236 1MID LAP 25.2747
237 2HJ3 FAD 28.8
238 4J26 EST 41.6667
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