-->
Receptor
PDB id Resolution Class Description Source Keywords
3B8I 1.9 Å EC: 4.1.1.3 CRYSTAL STRUCTURE OF OXALOACETATE DECARBOXYLASE FROM PSEUDOM AERUGINOSA (PA4872) IN COMPLEX WITH OXALATE AND MG2+. PSEUDOMONAS AERUGINOSA ALPHA/BETA BARREL HELIX SWAPPING LYASE
Ref.: STRUCTURE AND FUNCTION OF PA4872 FROM PSEUDOMONAS AERUGINOSA, A NOVEL CLASS OF OXALOACETATE DECARBOXY THE PEP MUTASE/ISOCITRATE LYASE SUPERFAMILY. BIOCHEMISTRY V. 47 167 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:290;
A:291;
B:290;
B:291;
D:290;
E:290;
E:291;
F:290;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:289;
B:289;
C:289;
D:289;
E:289;
F:289;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OXL A:288;
B:288;
C:288;
D:288;
E:288;
F:288;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Ki = 4 uM
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B8I 1.9 Å EC: 4.1.1.3 CRYSTAL STRUCTURE OF OXALOACETATE DECARBOXYLASE FROM PSEUDOM AERUGINOSA (PA4872) IN COMPLEX WITH OXALATE AND MG2+. PSEUDOMONAS AERUGINOSA ALPHA/BETA BARREL HELIX SWAPPING LYASE
Ref.: STRUCTURE AND FUNCTION OF PA4872 FROM PSEUDOMONAS AERUGINOSA, A NOVEL CLASS OF OXALOACETATE DECARBOXY THE PEP MUTASE/ISOCITRATE LYASE SUPERFAMILY. BIOCHEMISTRY V. 47 167 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3B8I Ki = 4 uM OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3B8I Ki = 4 uM OXL C2 O4 C(=O)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3B8I Ki = 4 uM OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: 305
This union binding pocket(no: 1) in the query (biounit: 3b8i.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5XJ7 87O None
2 5XJ8 NKO None
3 2GJ3 FAD None
4 2II3 CAO None
5 1IXI 2HP 0.696864
6 1Q19 SSC 1.0453
7 3COW 52H 1.39373
8 1CX4 CMP 1.39373
9 5KBF CMP 1.39373
10 3DAA PDD 1.44404
11 2G86 UMP 1.74216
12 4D9C PMP 1.74216
13 4D7E FAD 1.74216
14 5K8C NAD 1.74216
15 4IOK ADP 1.74216
16 2C6Q NDP 1.74216
17 2WK2 SN5 SN5 1.74216
18 2WK2 SN5 SN5 NGT 1.74216
19 4IOK XPO 1.74216
20 4RGQ NDP 1.74216
21 4RGQ 13P 1.74216
22 5U3F 7TS 1.74216
23 2WOE AR6 1.74216
24 1KQN NAD 1.79211
25 2GV8 FAD 2.09059
26 2GVC FAD 2.09059
27 5JGA 6KC 2.09059
28 4H2F ADN 2.09059
29 1JS3 PLP 142 2.09059
30 5NMX NAP 2.09059
31 2FSH ANP 2.09059
32 6ASY ATP 2.09059
33 5NMX FAD 2.09059
34 4MUV PCG 2.11268
35 5MEX SZZ 2.17391
36 5MEX PAP 2.17391
37 4CYD CMP 2.22222
38 1M7G ADX 2.36967
39 2D4V NAD 2.43902
40 1EE0 CAA 2.43902
41 3MGB PAP 2.43902
42 5EXW 7DT 2.43902
43 1Q20 A3P 2.43902
44 1Q20 PLO 2.43902
45 4HA6 FAD 2.43902
46 2O07 SPD 2.43902
47 2O07 MTA 2.43902
48 1X7D ORN 2.43902
49 4ONC 40B 2.46479
50 5YVR NDP 2.68949
51 2QZT PLM 2.7027
52 2PHN GDP 2.75591
53 1RP7 TZD 2.78746
54 4KXV TDP DX5 2.78746
55 6HOY AR6 2.78746
56 6HOY TSN 2.78746
57 3ZG6 APR 2.78746
58 5IE3 AMP 2.78746
59 5IE3 OXD 2.78746
60 1QRP HH0 2.78746
61 1RRM APR 2.78746
62 3NOJ PYR 2.94118
63 4OR7 NAP 3.0303
64 1P0Z FLC 3.05344
65 1MJH ATP 3.08642
66 5WRI A3P 3.13589
67 1IOW ADP 3.13589
68 1IOW PHY 3.13589
69 5WRJ A3P 3.13589
70 3NTA FAD 3.13589
71 5ULJ 0WD 3.13589
72 1M2W NAD 3.13589
73 2Z5F A3P 3.13589
74 4GBM A3P 3.13589
75 5EF7 5OJ 3.13589
76 3ZNR NU9 3.13589
77 1KJ8 ATP 3.13589
78 1KJ8 GAR 3.13589
79 1LJ8 NAD 3.13589
80 5DXV NAP 3.20513
81 1QX4 FAD 3.28467
82 3KA2 2NC 3.44828
83 4Q5M ROC 3.44828
84 4ZLU ADP 3.48432
85 4PIO SAH 3.48432
86 4PIO AVI 3.48432
87 1DQS NAD 3.48432
88 2VOS ADP 3.48432
89 3B9A NAG NAG NAG NAG NAG NAG 3.48432
90 4Z87 GDP 3.48432
91 5I60 67W 3.48432
92 1AQU A3P 3.48432
93 2X7I CIT 3.48432
94 5A04 NDP 3.48432
95 5A04 BGC 3.48432
96 2P9T 3PG 3.48432
97 2VAP GDP 3.48432
98 4N49 SAM 3.48432
99 5OJ7 AR6 3.4965
100 4QM7 GTP 3.50877
101 1D1G NDP 3.57143
102 2W9S NDP 3.72671
103 2C94 TSF 3.75
104 1RM0 D6P 3.83275
105 1HV9 UD1 3.83275
106 1QS8 IVA VAL VAL STA ALA STA 3.83275
107 1V59 FAD 3.83275
108 4JNE ATP 3.83275
109 5GSN FAD 3.83275
110 5X20 NAD 3.83275
111 4OJ8 2TQ 3.83275
112 4B9Q ATP 3.83275
113 1J3I NDP 3.92857
114 2F1K NAP 3.94265
115 3UIE ANP 4
116 1M3U KPL 4.16667
117 4P53 NAI 4.18118
118 2ZPT A3P 4.18118
119 4CE5 PDG 4.18118
120 5K4W THR 4.18118
121 3AI7 TPP 4.18118
122 1P72 THM 4.18118
123 1VBH PEP 4.18118
124 3IX9 NDP 4.21053
125 4OOP DUP 4.21687
126 1H65 GDP 4.44444
127 1JGT APC 4.52962
128 1JGT CMA 4.52962
129 4JD3 PLM 4.52962
130 4JD3 COA 4.52962
131 5Y77 KYN 4.52962
132 1NST A3P 4.52962
133 1C7O PPG 4.52962
134 4IPE ANP 4.52962
135 1GR0 NAD 4.52962
136 1P3D ANP 4.63158
137 4NB5 2JT 4.67836
138 1UJ2 ADP 4.7619
139 1UJ2 C5P 4.7619
140 6FTB M0E 4.7619
141 1OJ7 NZQ 4.87805
142 5JCM FAD 4.87805
143 5JCM ISD 4.87805
144 5JCM NAD 4.87805
145 6GAS FAD 4.87805
146 2VHJ ADP 4.87805
147 5YVT NAI 4.87805
148 4GNI ATP 4.88998
149 3MAX LLX 4.90463
150 3JVH HHV 4.91803
151 1RP0 AHZ 4.92958
152 1O68 KIV 5.09091
153 3VRV YSD 5.16605
154 3FPF MTA 5.22648
155 3FPF TNA 5.22648
156 1QM5 PLP 5.22648
157 3BFX A3P 5.22648
158 4Z24 FAD 5.22648
159 1P0F NAP 5.22648
160 3ITJ FAD 5.22648
161 4AF0 IMP 5.22648
162 1IYE PGU 5.22648
163 2BLE 5GP 5.22648
164 1E1O LYS 5.22648
165 4KCT PYR 5.22648
166 1QZR ANP 5.22648
167 2J3M PRI 5.22648
168 3ITJ CIT 5.22648
169 5KJZ PCG 5.33333
170 1VHT BA3 5.50459
171 5TPR NAD 5.57491
172 1ZOA 140 5.57491
173 1N1G BCP 5.57491
174 2X7J TPP 5.57491
175 4NVP 7CH 5.74163
176 2B3D FAD 5.88235
177 1A8R GTP 5.88235
178 2QZS 250 5.92335
179 2QZS ADP 5.92335
180 2QZS GLC 5.92335
181 1VLJ NAP 5.92335
182 4DHY GLC 5.92335
183 3B1F NAD 5.92335
184 4UUG PXG 5.92335
185 4OHY ANP 5.92335
186 2ZC0 PMP 5.92335
187 3SFV GDP 5.92335
188 2QQ0 ADP 5.97826
189 2QQ0 TMP 5.97826
190 2QQ0 ANP 5.97826
191 2QQ0 THM 5.97826
192 2ORV 4TA 5.98291
193 5TO8 7FM 6.02837
194 5GM9 CBK 6.10329
195 4GOX A3P 6.27178
196 3NT6 FAD 6.27178
197 3AHC TPP 6.27178
198 5MQ6 NDP 6.27178
199 1NE6 SP1 6.36042
200 3KJS DQ1 6.62021
201 3KJS NAP 6.62021
202 3Q9T FAY 6.62021
203 1FP6 ADP 6.62021
204 1VPE 3PG 6.62021
205 5L2R LMR 6.62021
206 1JNR FAD 6.66667
207 5BSH PRO 6.85921
208 4OFG PCG 6.94444
209 5WX3 COA 6.96864
210 6ENO BJ8 6.96864
211 2DW7 SRT 6.96864
212 5XKT GNP 7
213 5EIB GTP 7.10059
214 5EYP GTP 7.10059
215 4LNU GTP 7.10059
216 1W4R TTP 7.17949
217 4KU7 PCG 7.18954
218 4NDO ATP 7.24638
219 2IW1 U2F 7.31707
220 3KOX Z98 7.31707
221 2DX7 CIT 7.45614
222 4A34 FUL 7.48299
223 4WOP CTP 7.55556
224 3ZOK NAD 7.66551
225 5G0H E1Z 7.66551
226 3A4M ADP 7.69231
227 5DEX 5E0 8.01394
228 2DC1 NAD 8.05085
229 3IP8 B85 8.06452
230 5JAX 6J7 8.14815
231 2PI8 NAG NAG NAG NAG NAG NAG 8.36237
232 4YDD MGD 8.36237
233 4YDD MD1 8.36237
234 3QVV 3QV 8.36237
235 3QVV A3P 8.36237
236 1J0D 5PA 8.36237
237 5MBX SP5 8.7108
238 5MBX FAD 8.7108
239 2GRU NAD 8.7108
240 2OHH FMN 8.7108
241 1VKJ A3P 8.77193
242 4WJT NAG 8.98204
243 1UJP CIT 9.22509
244 3IA4 NDP 9.25926
245 1NXJ TLA 9.28962
246 5ITZ GTP 9.44882
247 1ZRH A3P 9.48905
248 4BQS K2Q 9.65909
249 4BQS ADP 9.65909
250 3NTD FAD 9.7561
251 3T1A 5MA 9.7561
252 3LL5 IPE 10.0402
253 3LL5 ADP 10.0402
254 3LL5 ATP 10.0402
255 3O9Z NAD 10.1045
256 4B3J COA 10.1045
257 2DM6 NAP 10.1045
258 1I36 NAP 10.2273
259 3BD9 A3P 10.3571
260 3X0V FAD 10.453
261 3RT4 LP5 10.5263
262 1T8U A3P 10.6618
263 2CE7 ADP 10.8014
264 3H86 AP5 10.9375
265 5EYG NAP 11.3208
266 1RYD NDP 11.4983
267 6H39 FGY 11.6
268 2D3M COA 11.8467
269 4XT8 TMQ 12.0155
270 4XT8 NAP 12.0155
271 2GAG FAD 12.381
272 2GAG FOA 12.381
273 2GAG NAD 12.381
274 2PTM CMP 13.1313
275 3FV1 DYH 13.2812
276 3CIP ATP 13.2812
277 5CMK GLU 13.5135
278 5CMK LY5 13.5135
279 5O4F 8VE 13.5659
280 5E9G GLV 14.6341
281 2ZRU FMN 14.6341
282 1WQ1 GDP 14.6341
283 5KTN 13P 14.6341
284 3RF4 FUN 14.6552
285 6C4A PYR 14.9826
286 3AD8 PYC 15.2709
287 3AD8 FAD 15.2709
288 3AD8 NAD 15.2709
289 4UXH T5A 15.7609
290 3W8X FAD 16.0279
291 3W8X FTK 16.0279
292 1QSC ACE TYR PRO ILE GLN GLU THR 16.2304
293 1IGW PYR 17.0732
294 1QV1 CZH 17.9487
295 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 19.0476
296 1AJS PLA 19.8606
297 3HY2 ATP 20.9091
298 3RYC GTP 23.7762
299 1RC0 KT5 29.1866
300 5ZBL AMP 30.0493
301 3M0J OAF 40.7666
302 1M1B SPV 41.8118
303 1XG4 ICT 44.9477
304 2DUA OXL 44.9477
305 1O5Q PYR 49.4774
Pocket No.: 2; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: 234
This union binding pocket(no: 2) in the query (biounit: 3b8i.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3RO7 TDR None
2 4FE2 AIR None
3 2GTE VA None
4 2EW1 GNP 0.995025
5 4IQY AR6 1.66667
6 4RGQ 1GP 1.74216
7 1JQ5 NAD 1.74216
8 3C1O NAP 1.74216
9 5FOE GDP 1.74216
10 2VBF TPP 1.74216
11 2PT9 S4M 1.74216
12 4UUW AMP 1.74216
13 1NWU NAG NAG NAG NDG 1.74216
14 3NB0 G6P 1.74216
15 2BHZ MAL 1.74216
16 6B4K ANP 1.74216
17 2I7C AAT 1.76678
18 1LVL FAD 2.09059
19 6F7L FAD 2.09059
20 4YS0 ADP 2.09059
21 2A2C ADP 2.09059
22 2A2C NG1 2.09059
23 5TWB FAD 2.09059
24 5JWC FAD 2.09059
25 1PS6 4TP 2.09059
26 2ABJ CBC 2.09059
27 2BL9 NDP 2.10084
28 2BL9 CP6 2.10084
29 3EB9 FLC 2.25564
30 4HA9 NDP 2.40964
31 1ZK7 FAD 2.43902
32 3ICR FAD 2.43902
33 1DMH MCT 2.43902
34 1UP7 G6P 2.43902
35 4ER2 IVA VAL VAL STA ALA STA 2.43902
36 3ICS FAD 2.43902
37 1SQ5 ADP 2.43902
38 1VQW FAD 2.62582
39 2VTD LKM 2.78746
40 6FCX FAD 2.78746
41 3GDN HBX 2.78746
42 3GDN FAD 2.78746
43 1Z6T ADP 2.78746
44 1FEC FAD 2.78746
45 1U1I NAD 2.78746
46 5EB4 FAD 2.78746
47 5FB3 NDP 2.78746
48 2Q0L NAP 2.78746
49 3DKP ADP 2.85714
50 3RG9 WRA 2.91667
51 3RG9 NDP 2.91667
52 1QK3 5GP 3.00429
53 2HF9 GSP 3.09735
54 1GPE FAD 3.13589
55 4BFW ZVW 3.13589
56 4EPM AMP 3.13589
57 4X7R NTO 3.13589
58 6EOA FMN 3.13589
59 6CD1 PLG 3.13589
60 4UIB GWX 3.13589
61 5LB3 ADP 3.13589
62 2XVF FAD 3.13589
63 6CD1 PLS 3.13589
64 5KF6 FAD 3.13589
65 5KF6 TFB 3.13589
66 1S7G APR 3.16206
67 1BZY IMU 3.22581
68 1VHD NAP 3.2345
69 5ESO ISC 3.3101
70 5ESO TDP 3.3101
71 4ZLU 4PW 3.48432
72 1DQS CRB 3.48432
73 4UOX PLP PUT 3.48432
74 5GUD NDP 3.48432
75 5GUD 2IT 3.48432
76 1R9J TPP 3.48432
77 1WUR 8DG 3.63636
78 1Z06 GNP 3.7037
79 1FS5 TLA 3.7594
80 2W2X GSP 3.78378
81 4OJ8 AKG 3.83275
82 5TSH ADP 3.83275
83 3ZXR P3S 3.83275
84 3ZXR IQ1 3.83275
85 5BN3 ADP 3.83275
86 4KQL 1SG 3.83275
87 4KX8 L2O VAL VAL ASP 3.83275
88 5TSH ANP 3.83275
89 4XRZ SI6 3.83275
90 3LCV SAM 3.91459
91 3VX3 ADP 4.03226
92 1O2D NAP 4.18118
93 1N9G NAP 4.18118
94 2Q4H AMP 4.18118
95 5ZYN FAD 4.18118
96 1DLJ UGA 4.18118
97 4NES UDP 4.18118
98 4ZG4 VO4 ADP 4.18118
99 6ECU SAH 4.18118
100 5KJU 6TO 4.18118
101 4P6C RES 4.20168
102 3UWV 2PG 4.21456
103 5XLX SAH 4.25532
104 4M0R 644 4.52962
105 2QXL ATP 4.52962
106 3C6K SPD 4.52962
107 1RRC ADP 4.52962
108 3C6K MTA 4.52962
109 5KY3 GFB 4.52962
110 2FYF PLP 4.52962
111 2KCE D16 4.54545
112 2BKX F6R 4.54545
113 5UR0 NAD 4.87805
114 5O2N NAG 4.87805
115 5O2N NAG NAG NDG NAG 4.87805
116 5MQ5 ASP 4.87805
117 2P53 NNG 4.87805
118 4RSE PLM 4.87805
119 2R68 SUP 4.87805
120 5TDF 7A3 4.87805
121 1ITZ TPP 4.87805
122 6C4M NAP 4.87805
123 3IIJ ADP 5
124 2GQS C2R 5.06329
125 3NKV GNP 5.14286
126 1QZR CDX 5.22648
127 5BO9 CSF 5.22648
128 1QM5 GLC GLC GLC PO4 SGC GLC 5.22648
129 3ZY6 GFB 5.22648
130 1SJN DUP 5.29412
131 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 5.36398
132 1Q9I FAD 5.57491
133 1Q9I TEO 5.57491
134 1NVT NAP 5.57491
135 4BLW SAH 5.57491
136 4LIX AG8 5.57491
137 1KIJ NOV 5.57491
138 2BES RES 5.81395
139 1NYT NAP 5.90406
140 1Q0H NDP 5.92335
141 1Q0H FOM 5.92335
142 2R5N TPP 5.92335
143 2R5N RP5 5.92335
144 2UVF AD0 5.92335
145 5HPY GDP 5.94595
146 1S7N COA 6.04396
147 2J0V GDP 6.13208
148 4F2Q QUS 6.20155
149 6B3V 7DQ 6.27178
150 6B3V ANP 6.27178
151 3V2U ATP 6.27178
152 4KBF AMP 6.27178
153 3OTI TYD 6.27178
154 1GP2 GDP 6.27178
155 2F59 INI 6.36943
156 2BME GNP 6.45161
157 1QHH ATP 6.58683
158 5O74 GDP 6.59898
159 3WQQ NDP 6.62021
160 3WQQ IB3 6.62021
161 1OFZ FUL 6.62021
162 1OFZ FUC 6.62021
163 2WZM NA7 6.71378
164 4YSX FAD 6.73759
165 1AOE GW3 6.77083
166 1AOE NDP 6.77083
167 3RIY NAD 6.95971
168 1MV8 GDX 6.96864
169 3S5W NAP 6.96864
170 2D7D ADP 6.96864
171 1MUU GDX 6.96864
172 4NJS G08 7.07071
173 5EYP GDP 7.10059
174 2BCG GDP 7.28155
175 1XAJ NAD 7.31707
176 1XAJ CRB 7.31707
177 4C3Y ANB 7.31707
178 4WZA ADP 7.31707
179 4BUZ OAD 7.31707
180 4BUZ NAD 7.31707
181 3B7G ANP 7.3913
182 3DFR NDP 7.40741
183 3DMH GMP 7.66551
184 3DMH SAM 7.66551
185 2WW4 ADP 7.66551
186 3OEN GLU 7.69231
187 5A89 FMN 7.69231
188 5A89 ADP 7.69231
189 2DVZ GLU 8.01394
190 1RQ2 CIT 8.01394
191 4ZGS NAD 8.03109
192 3GFS FMN 8.62069
193 3ZIA ADP 8.7108
194 2GCG NDP 9.05923
195 1U1W 3HA 9.0604
196 4M7V NAP 9.14286
197 4RLE 2BA 9.40171
198 2DPY ADP 9.40767
199 2CIG 1DG 9.43396
200 1YRB GDP 9.54198
201 1TKB N1T 9.7561
202 1Z0A GDP 9.77011
203 2V7Q ATP 10
204 3O9Z AKG 10.1045
205 3DR4 G4M 10.1045
206 3EEL 53T 10.1322
207 5N2I NAP 10.3448
208 1T8U UAP SGN IDS SGN 10.6618
209 3HGM ATP 10.8844
210 4LAE NAP 11.3772
211 4LAE 1VM 11.3772
212 1H6C SIN 11.4983
213 1H6C NDP 11.4983
214 5ND5 TPP 11.4983
215 1G7C 5GP 11.7021
216 1NPD NAD 11.8467
217 4OOE FOM 12.5436
218 4TTQ ATP 12.5581
219 2HK9 NAP 13.0909
220 1ZXM ANP 13.2404
221 3SBD GNP 13.369
222 3QBT GNP 13.7931
223 4LHW GNP 13.7931
224 2G5C NAD 13.879
225 5H5O PCG 13.9535
226 1HE1 GDP 14.2045
227 5LXT GTP 15.3846
228 1VE3 SAM 15.4185
229 4QVB F42 15.6463
230 3IUY AMP 16.2281
231 2ZJ5 ADP 17.77
232 4KM2 TOP 18.9944
233 4KM2 ATR 18.9944
234 3PC3 P1T 19.5122
Pocket No.: 3; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: 50
This union binding pocket(no: 3) in the query (biounit: 3b8i.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2PT9 2MH 1.74216
2 3EMZ HXH 2.09059
3 5MR6 FAD 2.09059
4 2R09 4IP 2.09059
5 6C2Z P1T 2.43902
6 3T34 GDP 2.78746
7 1OJ4 ANP 2.82686
8 2FAH GDP 3.13589
9 4NDN SAM 3.13589
10 3GF4 FAD 3.13589
11 1S7G NAD 3.16206
12 1L1Q 9DA 3.22581
13 3FSM 2NC 3.44828
14 4B4U NAP 3.48432
15 1V59 NAD 3.83275
16 2V2V V12 4.42804
17 5LRT ADP 4.52962
18 4PTZ FMN 4.71204
19 4I5I NAD 4.87805
20 5UL5 8D7 4.87805
21 5UL5 PLM 4.87805
22 2JK0 ASP 4.87805
23 5VSM 5AD 4.87805
24 5VSM MET 4.87805
25 4P83 U5P 4.94506
26 3VC3 C6P 5.57491
27 4BR5 ANP 5.57491
28 5DDW 5B6 5.57491
29 1NYW DAU 5.58376
30 4EDK GTP 5.92335
31 6F97 FAD 6.27178
32 6GNF QPS 6.27178
33 3BF1 ADP 6.4257
34 1RBL CAP 6.62021
35 4TSK NDP 6.96864
36 2C5S AMP 6.96864
37 3NWQ 2NC 7.07071
38 4WZA ACP 7.31707
39 2Q4W FAD 7.31707
40 3N2S FMN 8.03213
41 6C8X BVR 8.08081
42 6CUZ FEV 8.7108
43 6AMI TRP 8.83838
44 1LBF 137 8.90688
45 2DXU BT5 9.3617
46 5HDJ FMN 11.284
47 1VI2 NAD 11.8467
48 3X44 PUS 14.2857
49 1BKJ FMN 16.25
50 1S8G DAO 18.1818
Pocket No.: 4; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 3b8i.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5HZ5 65X None
2 3GD4 FAD 1.74216
3 3A4V NAD 2.09059
4 3A4V PYR 2.09059
5 1ELU PDA 2.43902
6 3QKT ANP 2.78746
7 2UYT ADP 3.48432
8 2UYT LRH 3.48432
9 4JE5 PMP 4.18118
10 5WXK TYD 4.87805
11 4M8D 23J 4.94297
12 4KXQ APR 4.98221
13 3EWP APR 5.64972
14 2UUU FAD 7.31707
15 5HK9 64O 8.30565
16 4RHY 3QG 24.3781
Pocket No.: 5; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: 15
This union binding pocket(no: 5) in the query (biounit: 3b8i.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4YUW S4M 1.39373
2 4YUW 4JU 1.39373
3 2C6Q IMP 1.74216
4 2B8T THM 1.79372
5 1GCK ASP PLP 4.18118
6 5WM2 SAL 4.87805
7 3PCJ INO 6.5
8 4XF6 LIP 6.59341
9 4XF6 INS 6.59341
10 4XF6 ADP 6.59341
11 4BUZ OCZ 7.31707
12 2UUU PL3 7.31707
13 3L5R 47X 9.01639
14 1I7A FLC 12.6126
15 4YV5 SVR 23.7705
Pocket No.: 6; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3b8i.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: 10
This union binding pocket(no: 7) in the query (biounit: 3b8i.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZTV ADN 2.09059
2 6GXA TB8 2.43902
3 5A5W GUO 2.7668
4 3AFH GSU 3.13589
5 3VP6 HLD 4.18118
6 4JE5 PLP 4.18118
7 5FWA J7C 4.87805
8 4C3Y FAD 7.31707
9 1XDY MTE 8.7108
10 3RMK BML 12.0482
Pocket No.: 8; Query (leader) PDB : 3B8I; Ligand: OXL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3b8i.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback