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Receptor
PDB id Resolution Class Description Source Keywords
3FW9 1.49 Å EC: 1.21.3.3 STRUCTURE OF BERBERINE BRIDGE ENZYME IN COMPLEX WITH (S)-SCO ESCHSCHOLZIA CALIFORNICA BI-COVALENT FLAVINYLATION N-GLYCOSYLATION ALAKLOID BIOSYNTOXIDOREDUCTASE ALKALOID METABOLISM CYTOPLASMIC VESICLE FFLAVOPROTEIN GLYCOPROTEIN
Ref.: STRUCTURAL ROLES OF BIOCOVALENT FLANINYLATION IN BE BRIDGE ENZYME TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1;
Part of Protein;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MG A:524;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NAG A:523;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG MAN A:521;
Part of Protein;
none;
submit data n/a n/a n/a n/a
SLX A:2;
Valid;
none;
submit data
327.374 C19 H21 N O4 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FW9 1.49 Å EC: 1.21.3.3 STRUCTURE OF BERBERINE BRIDGE ENZYME IN COMPLEX WITH (S)-SCO ESCHSCHOLZIA CALIFORNICA BI-COVALENT FLAVINYLATION N-GLYCOSYLATION ALAKLOID BIOSYNTOXIDOREDUCTASE ALKALOID METABOLISM CYTOPLASMIC VESICLE FFLAVOPROTEIN GLYCOPROTEIN
Ref.: STRUCTURAL ROLES OF BIOCOVALENT FLANINYLATION IN BE BRIDGE ENZYME TO BE PUBLISHED
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FW9 - SLX C19 H21 N O4 COc1ccc2c(....
2 3GSY - DEH C19 H18 N O4 COc1ccc2cc....
3 3FWA - REN C19 H23 N O4 C[N@@]1CCc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FW9 - SLX C19 H21 N O4 COc1ccc2c(....
2 3GSY - DEH C19 H18 N O4 COc1ccc2cc....
3 3FWA - REN C19 H23 N O4 C[N@@]1CCc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FW9 - SLX C19 H21 N O4 COc1ccc2c(....
2 3GSY - DEH C19 H18 N O4 COc1ccc2cc....
3 3FWA - REN C19 H23 N O4 C[N@@]1CCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SLX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SLX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FW9; Ligand: SLX; Similar sites found with APoc: 261
This union binding pocket(no: 1) in the query (biounit: 3fw9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2YIP YIO None
2 6F6D AKG 1.0101
3 5FP3 3JI 1.0101
4 4LIT AKG 1.4742
5 5MZI FAD 1.51844
6 5MZI FYK 1.51844
7 5YJS SAL 1.53846
8 5LY1 PPI 1.5748
9 5G3U ITW 1.65485
10 5F3I 5UJ 1.66667
11 1OJK GLC BGC 1.74129
12 1OJJ GLC GAL 1.74129
13 4BVA T3 1.79104
14 1SDW IYT 1.91083
15 2OVW CBI 1.94647
16 1YKD CMP 2.01005
17 2ZL7 FUC GAL NGA 2.0339
18 3D91 REM 2.05279
19 5GLT BGC GAL NAG GAL 2.11268
20 3RGA LSB 2.12014
21 5X7Q GLC GLC GLC GLC 2.22222
22 5X7Q GLC GLC GLC GLC GLC 2.22222
23 6FXR AKG 2.22222
24 1QFT HSM 2.28571
25 2WA4 069 2.29226
26 3P7N FMN 2.32558
27 5DRB 5FJ 2.4055
28 4UWJ 7L5 2.42424
29 4UWJ MYA 2.42424
30 3AVR OGA 2.42424
31 4OPC FDA 2.42826
32 4OPC PGT 2.42826
33 4B2Z P5S 2.45536
34 2AGC DAO 2.46914
35 6GG9 FMN 2.46914
36 2WSA 646 2.51142
37 2WSA MYA 2.51142
38 2D6M LBT 2.51572
39 1GQG DCD 2.57143
40 4BJZ P3A 2.59434
41 4BJZ FAD 2.59434
42 5TZ6 7OD 2.5974
43 1ZB6 DIN 2.60586
44 1ZB6 GST 2.60586
45 1GP6 SIN 2.80899
46 1GP6 DH2 2.80899
47 1GP6 QUE 2.80899
48 2BCG GER 2.91262
49 5NBP BGC BGC BGC 2.94118
50 1T27 PCW 2.95203
51 5UWA 8ND 2.95567
52 1ZHX HC3 2.96804
53 3PFG SAM 3.04183
54 3PFG TLO 3.04183
55 3VV1 GAL FUC 3.125
56 3M94 M7M 3.1746
57 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 3.19149
58 4NPL AKG 3.2
59 5T7I LAT NAG GAL 3.22581
60 1DMY AZM 3.22581
61 4YVN EBS 3.23232
62 3VHH VHH 3.25203
63 1U0A BGC BGC BGC BGC 3.27103
64 2OVD DAO 3.2967
65 5WO4 B7V 3.31126
66 5A3T MMK 3.3264
67 5DBX ANP 3.35366
68 2XMY CDK 3.3557
69 5EZU MYR 3.37079
70 4OJ8 AKG 3.41297
71 6E08 NAP 3.43434
72 3PUR 2HG 3.43434
73 1UNB AKG 3.53698
74 1UNB PN1 3.53698
75 4OMJ 2TX 3.59712
76 4OCT AKG 3.6036
77 4GQP B40 3.61446
78 4JH6 FCN 3.62319
79 4YGF AZM 3.63636
80 3MPB FRU 3.65854
81 3KFF ZBT 3.7037
82 3KFF XBT 3.7037
83 4KYS VIB 3.74707
84 3STK PLM 3.78788
85 4D4U FUC NDG GAL FUC 3.80952
86 3QRC SCR 3.82166
87 3BRN SRO 3.82166
88 2YNE YNE 3.83838
89 2YNE NHW 3.83838
90 1RQH PYR 3.83838
91 1I06 TZL 3.88889
92 4RDL FUC GAL NDG FUC 3.8961
93 5TPV TYD 3.92157
94 3WG3 A2G GAL NAG FUC 3.93258
95 1QY1 PRZ 4.02299
96 5GP0 GPP 4.02685
97 2ZHL NAG GAL GAL NAG 4.05405
98 3VQ2 LP4 LP5 MYR DAO 4.16667
99 5EO8 TFU 4.18006
100 5D3X 4IP 4.19162
101 5IVE 6E8 4.24242
102 5TPU TYD 4.31655
103 1WW5 SGA BGC 4.375
104 4RFR RHN 4.4335
105 2BS5 BGC GAL FUC 4.44444
106 1OIJ AKG 4.44444
107 5YBN AKG 4.4586
108 3FW4 CAQ 4.49438
109 2P7Q GG6 4.51128
110 3ZXE PGZ 4.51128
111 5H9Q TD2 4.51613
112 1I7E IBS 4.5283
113 6F5U CQN 4.54545
114 4HIA FMN 4.54545
115 2XK9 XK9 4.65839
116 4GCZ FMN 4.67532
117 5T48 MGP 4.6875
118 2A1L PCW 4.81482
119 5H2D ERG 4.84848
120 3GL0 HXX 4.87106
121 2JIG PD2 4.91071
122 5KJW 53C 4.91803
123 5JSP DQY 4.97512
124 3PG7 PTY 5.07812
125 4XAC AKG 5.15873
126 2OBF SAH 5.19031
127 2OBF F83 5.19031
128 5TBM 79A 5.21739
129 4XCB AKG 5.36398
130 5HV0 AKG 5.52995
131 3CBC DBS 5.55556
132 2E56 MYR 5.55556
133 3N0Y APC 5.58659
134 5K21 6QF 5.67376
135 1Y2F WAI 5.7554
136 5HA0 LTD 5.76923
137 3NNT DQA 5.7971
138 1I82 BGC BGC 5.82011
139 2GC0 PAN 5.85106
140 2C3W GLC GLC GLC GLC 5.88235
141 3B00 16A 5.88235
142 4FE2 ASP 5.88235
143 3Q8G PEE 5.9375
144 2ET1 GLV 5.97015
145 5VNF VAL THR SER VAL VAL 6.06061
146 4WUP 3UF 6.15385
147 4WOE ADP 6.26263
148 3T4L ZEA 6.2963
149 4UEC MGT 6.41026
150 1N9L FMN 6.42202
151 3KRO IPE 6.44068
152 3KRO DST 6.44068
153 5I0U DCY 6.5
154 5IXG OTP 6.50888
155 5HCA BGC 6.56934
156 1J49 NAD 6.60661
157 6GNO XDI 6.66667
158 1OGZ EQU 6.66667
159 5LUN OGA 6.81818
160 2HZQ STR 6.89655
161 2OBD 2OB 6.93277
162 5KEW 6SB 6.94444
163 2G30 ALA ALA PHE 6.97674
164 4WW8 VD9 7.22433
165 3MTX PGT 7.28477
166 5DYO FLU 7.33945
167 4OCX MT1 7.40741
168 4IAW LIZ 7.44681
169 1J3R 6PG 7.47475
170 2IUW AKG 7.56302
171 3E2M E2M 7.56757
172 3RWP ABQ 7.71704
173 4PSB GA3 7.74194
174 5HCF BGC 7.74908
175 5FPX GLY SER SER HIS HIS HIS HIS HIS 7.9646
176 2DDQ HRB 7.98122
177 4K55 H6P 8.06452
178 1Y7P RIP 8.07175
179 2QL9 CIT 8.09249
180 3SAO DBH 8.125
181 3SAO NKN 8.125
182 2YG2 S1P 8.13953
183 2YG2 FLC 8.13953
184 3E8T UQ8 8.18182
185 4JGP PYR 8.29493
186 5C5T AKG 8.33333
187 2WMC MGP 8.42697
188 5OCG 9R5 8.46561
189 4YLZ LAT NAG GAL 8.49673
190 1TT8 PHB 8.53659
191 6FA4 D1W 8.67052
192 5INJ 6C7 8.68687
193 1N5S ADL 8.92857
194 4FHD EEM 8.96739
195 4FHD 0TT 8.96739
196 3RUG DB6 9.09091
197 3G08 FEE 9.09091
198 3IS2 FAD 9.09091
199 6GR0 F8W 9.1954
200 6D61 4AA 9.23077
201 3NV3 GAL NAG MAN 9.42029
202 2VYT MLZ 9.50226
203 1ZZ7 S0H 9.59596
204 3SCH TB6 9.59596
205 4N7C AEF 9.65909
206 1G42 CP2 9.7973
207 1Y0G 8PP 9.94764
208 2AG4 OLA 10.3659
209 2AG4 LP3 10.3659
210 5A67 3PO 10.3774
211 2R0H CTO 10.9756
212 6EOZ 58K 11.039
213 6EOZ AKG 11.039
214 4Y24 TD2 11.039
215 4WVW SLT 11.1111
216 1ZM1 BGC BGC BGC 11.2033
217 5DQ8 FLF 11.25
218 4MNS 2AX 11.3208
219 1LYB IVA VAL VAL STA ALA STA 11.3402
220 5H9P TD2 11.3924
221 1NKI PPF 11.8519
222 5T46 MGP 12.1212
223 1V7R CIT 12.3656
224 5SVV FMN 12.4088
225 2VQ5 HBA 12.4378
226 4M1U A2G MBG 12.4579
227 5EOB 5QQ 12.5392
228 4MP8 MLI 12.6844
229 4MP8 NAD 12.6844
230 3OYW TDG 12.6866
231 3CF6 SP1 13.1737
232 4P8K 38C 13.3333
233 4P8K FAD 13.3333
234 6D6L FY4 13.5294
235 5AIG VPR 13.6
236 5NLD LBT 13.6691
237 4L4J NAG NAG BMA MAN NAG 14.0271
238 5AE2 FYC 14.5455
239 5AE2 FAD 14.5455
240 1DZK PRZ 14.6497
241 5ML3 DL3 14.7651
242 2PA7 TYD 14.8936
243 5BVB DOG 15.1515
244 2FTB OLA 15.2
245 2Y3S TIR 15.6604
246 2IPI AKY 15.7576
247 4JX1 CAH 15.9292
248 1ULE GLA GAL NAG 17.3333
249 1KJ1 MAN 19.2661
250 2VFT SOR 22.4242
251 4R38 RBF 23.5714
252 5FU3 BGC BGC BGC 25.4717
253 4RYV ZEA 26.4516
254 1IS3 LAT 27.4074
255 3ZW2 NAG GAL FUC 28.7356
256 1UW1 ADP 38.75
257 5L6G XYP 40.202
258 2AXR ABL 40.6061
259 3PQB VGP 42.2222
260 3W8X FTK 42.9487
261 3W8X FAD 42.9487
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