-->
Receptor
PDB id Resolution Class Description Source Keywords
2VFT 1.6 Å EC: 1.1.3.41 ALDITOL OXIDASE FROM STREPTOMYCES COELICOLOR A3(2): COMPLEX WITH SORBITOL STREPTOMYCES COELICOLOR FAD SUGAR POLYOL FLAVIN OXIDASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM AND STEREOSELECTIVITY IN STREPTOMYCES COELICOLOR ALDITOL OXIDASE. BIOCHEMISTRY V. 47 978 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1420;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FAD A:1418;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SOR A:1419;
Valid;
none;
submit data
182.172 C6 H14 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VFT 1.6 Å EC: 1.1.3.41 ALDITOL OXIDASE FROM STREPTOMYCES COELICOLOR A3(2): COMPLEX WITH SORBITOL STREPTOMYCES COELICOLOR FAD SUGAR POLYOL FLAVIN OXIDASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL ANALYSIS OF THE CATALYTIC MECHANISM AND STEREOSELECTIVITY IN STREPTOMYCES COELICOLOR ALDITOL OXIDASE. BIOCHEMISTRY V. 47 978 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
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 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
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 2VFT - SOR C6 H14 O6 C([C@@H]([....
2 2VFS - XYL C5 H12 O5 C([C@@H](C....
3 2VFU - MTL C6 H14 O6 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SOR; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 MTL 1 1
2 SOR 1 1
3 XYL 0.625 0.954545
4 RB0 0.625 0.954545
5 FOC 0.6 0.909091
6 RNT 0.6 0.909091
7 DNO 0.565217 0.909091
8 GLO 0.565217 0.909091
9 3BU 0.565217 0.909091
10 AOS 0.565217 0.909091
11 MRY 0.533333 0.954545
12 DTL 0.533333 0.954545
13 03W 0.5 0.826087
14 GCO 0.48 0.869565
15 CS2 0.48 0.869565
16 S6P 0.464286 0.636364
17 MMN 0.428571 0.617647
18 XLS 0.416667 0.909091
19 ROR 0.416667 0.909091
20 RB5 0.416667 0.909091
21 GOL 0.4 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VFT; Ligand: SOR; Similar sites found with APoc: 296
This union binding pocket(no: 1) in the query (biounit: 2vft.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5HZ5 65X None
2 1P0Z FLC None
3 2P7Q GG6 None
4 1VA6 ADP 1.4218
5 5FXD H7Y 1.4218
6 6FKW PQQ 1.4218
7 4MOB ADP 1.50602
8 4U0I 0LI 1.5873
9 5DXI TRE 1.65563
10 3SZB I1E 1.65877
11 4S00 AKR 1.65877
12 5FP3 3JI 1.65877
13 5LUN OGA 1.70455
14 4YGF AZM 1.7094
15 5XEG AKG 1.7316
16 3MF2 AMP 1.7341
17 4QDC ASD 1.79487
18 1I7M PUT 1.87266
19 3DZ6 PUT 1.87266
20 2D6M LBT 1.88679
21 3JU6 ANP 1.89189
22 2Z81 PCJ 1.89573
23 2RKV ZBA 1.89573
24 6AYI C3G 2.01005
25 4JSR 1NQ 2.10526
26 1ODM ASV 2.1148
27 4DHL 0K7 2.1327
28 2Z77 HE7 2.15827
29 4HWT 1B2 2.17918
30 2HK5 1BM 2.22222
31 5J75 6GQ 2.27273
32 5NIU 8YZ 2.34375
33 2OJW ADP 2.34375
34 4WOE ADP 2.36967
35 4NPL AKG 2.4
36 5N2F 8HW 2.41935
37 4C01 QY9 2.48227
38 1SDW IYT 2.54777
39 2Q0D ATP 2.54958
40 1UNB PN1 2.57235
41 1UNB AKG 2.57235
42 4WN5 MVC 2.6087
43 5OCG 9R5 2.6455
44 4H2V AMP 2.72727
45 3THR C2F 2.73038
46 4RPL FAD 2.75689
47 4RPL 3UC 2.75689
48 2RDQ AKG 2.77778
49 4BG4 ADP 2.80899
50 5YBN AKG 2.86624
51 4NV7 COA 2.88462
52 6CC0 EWM 2.95359
53 3GC8 B45 2.97297
54 1A78 TDG 2.98507
55 4NJH SAM 3.04348
56 4NJH 2K8 3.04348
57 3VHE 42Q 3.06407
58 3LVW GSH 3.08057
59 3I54 CMP 3.21285
60 6E08 NAP 3.31754
61 5MZI FYK 3.31754
62 5MZI FAD 3.31754
63 1RQH PYR 3.31754
64 1PN0 FAD 3.31754
65 4YVN EBS 3.31754
66 1PN0 IPH 3.31754
67 5W1E PHB 3.31754
68 3WG3 A2G GAL NAG FUC 3.37079
69 2ZHL NAG GAL GAL NAG 3.37838
70 5NFB 8VT 3.40909
71 4XCB HY0 3.44828
72 4AG8 AXI 3.48101
73 3PG7 PTY 3.51562
74 1YKD CMP 3.51759
75 4FHD 0TT 3.53261
76 4FHD EEM 3.53261
77 3OBT SLB 3.5545
78 4PFC 2QX 3.5545
79 5Y72 DST 3.58209
80 5ZM4 9FU 3.59477
81 5ZM4 AKG 3.59477
82 2AG4 OLA 3.65854
83 2AG4 LP3 3.65854
84 1N07 FMN 3.68098
85 2XMY CDK 3.69128
86 2GJ5 VD3 3.7037
87 3KFF ZBT 3.7037
88 3KFF XBT 3.7037
89 1WW5 SGA BGC 3.75
90 1QCA FUA 3.75587
91 5EOB 5QQ 3.76176
92 1GT4 UNA 3.77358
93 5X7Q ACR 3.79147
94 5DX9 T6P 3.79747
95 5USZ SKE 3.80623
96 3QRC SCR 3.82166
97 5A89 FMN 3.84615
98 4HWS 1B3 3.89294
99 5TPV TYD 3.92157
100 2XOM GAL GAL GAL 3.94737
101 2PVN P63 3.97727
102 6AYH C3G 3.9801
103 4CS4 AXZ 4.0146
104 4P42 PEE 4.02844
105 4ZU4 4TG 4.05405
106 1NYW DAU 4.06091
107 6FOF LAT 4.08163
108 2WT2 GAL NAG GAL NAG GAL NAG 4.08163
109 3AMN CBK 4.15094
110 3AMN CBI 4.15094
111 4QMN DB8 4.19355
112 4WUP 3UF 4.23077
113 3NW7 LGV 4.23453
114 4CCK OGA 4.2654
115 2WA4 069 4.29799
116 4V24 GYR 4.31267
117 3NV3 GAL NAG MAN 4.34783
118 3AGC RCC 4.34783
119 1T27 PCW 4.42804
120 5H9P TD2 4.43038
121 4RFR RHN 4.4335
122 1S4M LUM 4.43686
123 5DG2 GAL GLC 4.44444
124 6GNO XDI 4.44444
125 5F6U 5VK 4.4586
126 1N5S ADL 4.46429
127 2VQ5 HBA 4.47761
128 2WYA HMG 4.50237
129 5VLC HSO 4.50237
130 5HCY 60D 4.83384
131 1QIN GIP 4.91803
132 3PFG TLO 4.94297
133 3PFG SAM 4.94297
134 4D06 NAR 4.947
135 3W5N RAM 4.9763
136 3VPD ANP 4.98221
137 3SAO DBH 5
138 3E8T UQ8 5
139 3SAO NKN 5
140 5NLD LBT 5.03597
141 3G08 FEE 5.05051
142 5FKP 6UL 5.05051
143 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 5.05051
144 5ODY 9SK 5.07246
145 1C1L GAL BGC 5.10949
146 4RYV ZEA 5.16129
147 6FA4 D1W 5.20231
148 4JJJ CE6 5.21327
149 1DJX I3P 5.21327
150 4YLZ LAT NAG GAL 5.22876
151 4IAW LIZ 5.31915
152 4CYD CMP 5.33333
153 6BYM HC3 5.41872
154 1NSZ GLC 5.4755
155 4J36 FAD 5.54217
156 4J36 1HR 5.54217
157 4WVW SLT 5.55556
158 5ETR 5RW 5.59006
159 5ETR APC 5.59006
160 1U0A BGC BGC BGC BGC 5.60748
161 1LSH PLD 5.64263
162 5VNF VAL THR SER VAL VAL 5.73248
163 3L5R 47X 5.7377
164 2A4W BLM 5.7971
165 1Y7P RIP 5.8296
166 4OCT AKG 5.85586
167 4LOC OXM 5.92417
168 3E2M E2M 5.94595
169 3MTX PGT 5.96026
170 1SLT NDG GAL 5.97015
171 1TUV VK3 6.14035
172 4XV1 904 6.16438
173 5LXB 7A9 6.19835
174 5DQ8 FLF 6.25
175 5AYT L6Y 6.28931
176 3E85 BSU 6.32911
177 1I82 BGC BGC 6.34921
178 3FW3 ETS 6.39098
179 5C3R AKG 6.41399
180 5C3R HMU 6.41399
181 3WV6 GAL GLC 6.41892
182 3WV6 GAL BGC 6.41892
183 4PSB GA3 6.45161
184 1Y2F WAI 6.47482
185 5ENQ 5QE 6.50888
186 4O9S 2RY 6.51163
187 5D3X 4IP 6.58683
188 4F4P 0SB 6.59341
189 3WUD GLC GAL 6.61765
190 3A8U PLP 6.63507
191 5ML3 DL3 6.71141
192 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 6.77083
193 3RUG DB6 6.86275
194 4RF7 ARG 6.87204
195 2DIO EOD 6.91489
196 5VC5 96M 6.92042
197 4QA8 PJZ 6.9869
198 1DZK PRZ 7.00637
199 1LFO OLA 7.03125
200 5GLT BGC GAL NAG GAL 7.04225
201 5U98 1KX 7.07071
202 5O9W AKG 7.08447
203 1CZI PRO PHI SMC NOR 7.12074
204 4F7E 0SH 7.14286
205 3L9R L9R 7.14286
206 4X5S AZM 7.32759
207 6GR0 F8W 7.47126
208 1ZB6 DIN 7.49186
209 1ZB6 GST 7.49186
210 4ZSI 4R1 7.60234
211 5LXT ACP 7.69231
212 1QKQ MAN 7.74648
213 4Y24 TD2 7.79221
214 4QWT ACD 7.81991
215 1GP6 QUE 7.86517
216 1GP6 DH2 7.86517
217 1GP6 SIN 7.86517
218 5DRB 5FJ 7.90378
219 2GC0 PAN 7.97872
220 3M3E GAL A2G NPO 8.07453
221 5IXH OTP 8.07453
222 4H6B 10Y 8.20513
223 4H6B 10X 8.20513
224 2YMZ LAT 8.46154
225 4COQ SAN 8.50202
226 6C1S EFV 8.53081
227 1ULE GLA GAL NAG 8.66667
228 3VV1 GAL FUC 8.75
229 1IS3 LAT 8.88889
230 3VPB ADP 8.92857
231 4TWL ASC 8.94309
232 3OYW TDG 8.95522
233 1W6P NDG GAL 8.95522
234 1GZW GAL BGC 8.95522
235 1OPB RET 8.95522
236 1W6O LAT 8.95522
237 5FUI APY 9.09091
238 4WO4 JLS 9.17874
239 1U18 HSM 9.18919
240 6EWZ APC 9.2827
241 4MNS 2AX 9.43396
242 2WPU KYT 9.43396
243 4R3U 3KK 9.49367
244 4R3U 3HC 9.49367
245 2AXR ABL 9.54274
246 5EW9 5VC 9.5941
247 4K55 H6P 9.67742
248 3NNF AKG 9.88372
249 4M1U A2G MBG 10
250 5H5A 6OU 10
251 1MJJ HAL 10.0457
252 3VQ2 LP4 LP5 MYR DAO 10.1896
253 5TBM 79A 10.2564
254 2BOS GLA GAL 10.2941
255 4QYN RTL 10.5263
256 3HUJ AGH 10.5263
257 5FPX GLY SER SER HIS HIS HIS HIS HIS 10.6195
258 3SCM LGN 10.628
259 4H2X G5A 10.6796
260 5T7I LAT NAG GAL 10.9677
261 2R0H CTO 10.9756
262 1KGI T4A 11.0236
263 2FTB OLA 11.2
264 3QP8 HL0 11.413
265 3I8T LBT 11.5854
266 1W2D 4IP 11.6981
267 1WUB OTP 11.7978
268 3PQB VGP 11.976
269 5GP0 GPP 12.0805
270 1REQ DCA 12.0853
271 2OBD 2OB 12.0853
272 5H9Q TD2 12.2581
273 2QL9 CIT 12.3711
274 2CDO GAL AAL GAL AAL GAL AAL 12.5
275 4P8K 38C 12.5592
276 4P8K FAD 12.5592
277 1MH5 HAL 13.0435
278 2E56 MYR 13.1944
279 1NKI PPF 14.0741
280 4G7A AZM 14.1129
281 3ZXE PGZ 14.2857
282 3OJI PYV 14.2857
283 6FE1 V14 14.3969
284 4K3H 1OM 14.4068
285 2QX0 PH2 14.4654
286 5HES 032 14.658
287 3FW4 CAQ 15.1685
288 2YJ0 420 15.942
289 4QAC KK3 17.9724
290 4NG2 OHN 19.469
291 2NNQ T4B 19.8473
292 3STK PLM 20.4545
293 2QO4 CHD 20.6349
294 3FW9 SLX 22.4242
295 2BS5 BGC GAL FUC 23.3333
296 5K2M ADP 26.4151
APoc FAQ
Feedback