-->
Receptor
PDB id Resolution Class Description Source Keywords
5OCQ 1.7 Å EC: 3.2.1.83 CRYSTAL STRUCTURE OF THE COMPLEX OF THE KAPPA-CARRAGEENASE F PSEUDOALTEROMONAS CARRAGEENOVORA WITH AN OLIGOTETRASACCHARIK APPA-CARRAGEENAN PSEUDOALTEROMONAS CARRAGEENOVORA GLYCOSIDE HYDROLASE KAPPA-CARRAGEENASE BETA JELLYROLL MARCARBOHYDRASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO MARINE CARBOHYDRATE DEGRAD FAMILY GH16 KAPPA-CARRAGEENASES. J. BIOL. CHEM. V. 292 19919 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:405;
B:405;
Valid;
Valid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
9RN G4S 9RN G4S B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
788.659 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OCQ 1.7 Å EC: 3.2.1.83 CRYSTAL STRUCTURE OF THE COMPLEX OF THE KAPPA-CARRAGEENASE F PSEUDOALTEROMONAS CARRAGEENOVORA WITH AN OLIGOTETRASACCHARIK APPA-CARRAGEENAN PSEUDOALTEROMONAS CARRAGEENOVORA GLYCOSIDE HYDROLASE KAPPA-CARRAGEENASE BETA JELLYROLL MARCARBOHYDRASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO MARINE CARBOHYDRATE DEGRAD FAMILY GH16 KAPPA-CARRAGEENASES. J. BIOL. CHEM. V. 292 19919 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5OCQ - 9RN G4S 9RN G4S n/a n/a
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 5OCQ - 9RN G4S 9RN G4S n/a n/a
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 5OCQ - 9RN G4S 9RN G4S n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Ligand no: 2; Ligand: 9RN G4S 9RN G4S; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 9RN G4S 9RN G4S 1 1
2 G4S 9RN G4S 9RN G4S 0.853659 0.981132
3 9RN G4S DGS G4S 0.804598 0.981132
4 G4S 9RN G4S DGS G4S 9RN 0.601942 0.945455
5 DGS G4S DGS G4S 0.544554 0.962963
6 DGS G4S 0.442105 0.981132
7 AAL GAL AAL GAL 0.43 0.648148
8 GAL AAL GAL AAL GAL AAL 0.43 0.648148
9 AAL GAL AAL GLA 0.43 0.648148
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OCQ; Ligand: CIT; Similar sites found with APoc: 376
This union binding pocket(no: 1) in the query (biounit: 5ocq.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 4OAS 2SW None
2 2C94 TSF None
3 4P83 U5P None
4 4UAI 3GG None
5 5T2U NAP None
6 2CWH PYC 1.05263
7 2CWH NDP 1.05263
8 5THY SAH 1.05263
9 5THZ SAH 1.05263
10 4J7U NAP 1.05263
11 4J7U YTZ 1.05263
12 1Z6Z NAP 1.06383
13 3V1Y NAD 1.40351
14 4ASJ N6A 1.40351
15 3SMA ACO 1.40351
16 1PZM 5GP 1.4218
17 4F4P 0SB 1.4652
18 1H5Q NAP 1.50943
19 3W9F I3P 1.53846
20 5ZAI COA 1.5444
21 3OID NDP 1.55039
22 2BD0 NAP 1.63934
23 4BUY F37 1.66667
24 2VJM COA 1.75439
25 1XKD NAP 1.75439
26 1VGR COA 1.75439
27 1YXM ADE 1.75439
28 1RF6 S3P 1.75439
29 1RF6 GPJ 1.75439
30 3E9I XAH 1.75439
31 4ZO3 C6L 1.75439
32 3RSR N5P 1.75439
33 5AX9 4KT 1.75439
34 4J1Q NDP 1.75439
35 1KQN NAD 1.79211
36 3BZ3 YAM 1.81159
37 6MB9 NMY 1.82482
38 6MB9 COA 1.82482
39 5EW9 5VC 1.84502
40 6APV 3L4 1.85185
41 1JXZ BCA 1.85874
42 1NZY BCA 1.85874
43 3TN7 NJP 1.94553
44 3MB5 SAM 1.96078
45 4NBU NAI 2
46 3D3W NAP 2.04918
47 5JKG 6LF 2.10526
48 6G14 G4P 2.10526
49 3UBM COA 2.10526
50 5UR1 YY9 2.10526
51 4GN8 ASO 2.10526
52 1VL0 NAI 2.10526
53 4Z0H NAD 2.10526
54 5E9W SAH 2.10526
55 1IIM TTP 2.10526
56 4YVZ 3AT 2.12202
57 4EWH T77 2.18182
58 1JA9 NDP 2.18978
59 5FBN 5WF 2.21402
60 1X1T NAD 2.30769
61 6BC3 SIS 2.45614
62 6BC3 COA 2.45614
63 4HCX NDP 2.45614
64 4CLI 5P8 2.45614
65 5CEO 50D 2.45614
66 6ADI NDP 2.45614
67 4ASE AV9 2.45614
68 2C5A NAD 2.45614
69 2C5A GDC 2.45614
70 1D7O TCL 2.45614
71 1D7O NAD 2.45614
72 2QFY AKG 2.45614
73 2GCE RFC 2.45614
74 2GCE SFC 2.45614
75 2GH9 MLR 2.45614
76 3M6W SAM 2.45614
77 2B4R AES 2.45614
78 2B4R NAD 2.45614
79 1RJD SAM 2.45614
80 1XHL NDP 2.45614
81 1VJY 460 2.45614
82 1HKU NAD 2.45614
83 5GWT NAD 2.51799
84 5GWT SIN 2.51799
85 2WJG GDP 2.65957
86 1OAA OAA 2.7027
87 4NBW NAD 2.72374
88 4XUC 43G 2.75229
89 4XUC SAM 2.75229
90 1O44 852 2.77778
91 2AKO ADP 2.78884
92 1W6U NAP 2.80702
93 4GCS 1RG 2.80702
94 5MLR GRQ 2.80702
95 5MLR NAP 2.80702
96 5H62 UDP 2.80702
97 1W73 NAP 2.80702
98 2V6G NAP 2.80702
99 1W8D NAP 2.80702
100 2EXX NAP 2.80702
101 6DEN FAD 2.80702
102 6DEN G8A 2.80702
103 6DEN TP9 2.80702
104 1RJW ETF 2.80702
105 1F06 NDP 2.80702
106 1F06 2NP 2.80702
107 1QM5 GLC GLC GLC PO4 SGC GLC 2.80702
108 1QPB TPP 2.80702
109 1KGZ PRP 2.80702
110 1QPB PYM 2.80702
111 3VET TOY 2.80702
112 6BE0 COA 2.80702
113 3FSJ D7K 2.80702
114 3VET CP 2.80702
115 3VET ADP 2.80702
116 1JAY F42 2.83019
117 3UA1 08Y 2.87474
118 1VLH PNS 2.89017
119 2WJH GDP 3.01205
120 2WJH FLC 3.01205
121 1P1C SAH 3.01508
122 6CHP F0Y 3.10559
123 1UPF URF 3.125
124 3EKK GS2 3.15789
125 1XA4 COA 3.15789
126 3KRL KRL 3.15789
127 4Y93 746 3.15789
128 6EL3 NAP 3.15789
129 1VKJ A3P 3.15789
130 1XVV CCQ 3.15789
131 4KGD TDP 3.15789
132 4KGD FAD 3.15789
133 3H9E NAD 3.15789
134 2AMV BIN 3.15789
135 6EOA FMN 3.15789
136 3CL7 HYN 3.15789
137 3VCY UD1 3.15789
138 3FRK TQP 3.21716
139 1M4I PAP 3.31492
140 1M4I COA 3.31492
141 1M4I KAN 3.31492
142 1IG3 VIB 3.42205
143 1E3W NAD 3.44828
144 4C0X AQN 3.44828
145 4C0X FMN 3.44828
146 1E6W NAD 3.46154
147 3AFN NAP 3.48837
148 4F2Q QUS 3.48837
149 4N70 2HX 3.50877
150 2XK9 XK9 3.50877
151 4O1M NAD 3.50877
152 3JQ8 NAP 3.50877
153 3JQG NAP 3.50877
154 5K6A NAP 3.50877
155 4I42 1HA 3.50877
156 4CLO NAP 3.50877
157 4CM4 NAP 3.50877
158 4MIG G3F 3.50877
159 5JDI NAP 3.50877
160 3JQB NAP 3.50877
161 4CME NAP 3.50877
162 4CM9 NAP 3.50877
163 4CMI NAP 3.50877
164 2WD7 NAP 3.73134
165 4NBT NAD 3.75
166 3NW7 LGV 3.85965
167 3O0Q ADN 3.85965
168 3O0Q GDP 3.85965
169 3O0Q TTP 3.85965
170 5FQD LVY 3.85965
171 2R2L PB9 3.85965
172 2R2L FPP 3.85965
173 4IX4 ADP 3.85965
174 1J0X NAD 3.85965
175 3NUB UD0 3.85965
176 3QKD HI0 3.8674
177 5IOR DUS 3.87931
178 5IOR RBF 3.87931
179 5IOR FAD 3.87931
180 4NJH SAM 3.91304
181 4NJH 2K8 3.91304
182 3HVJ 705 4.0724
183 5H2U 1N1 4.11985
184 5DUS APR 4.16667
185 5DY5 5GR 4.21053
186 6BS6 GLC GLC GLC GLC 4.21053
187 2OM2 GDP 4.21053
188 1GP2 GDP 4.21053
189 2VYN NAD 4.21053
190 1ZVW PRP 4.21053
191 1OZH HE3 4.21053
192 5UR0 NAD 4.21053
193 4QIJ 1HA 4.21053
194 5ZIC BMA Z4Y NAG 4.21053
195 2Y6P CTP 4.2735
196 4A4X JUP 4.30108
197 2ZE7 DST 4.34783
198 4O0L NDP 4.36364
199 3ZJ0 ACO 4.36893
200 1G63 FMN 4.41989
201 1GRO ICT 4.5614
202 5H68 AGS 4.5614
203 1WUR 8DG 4.5614
204 1YRE COA 4.56853
205 2AE2 NAP 4.61538
206 2AE2 PTO 4.61538
207 4N65 FMN 4.71698
208 1UCD U5P 4.73684
209 1UCD URA 4.73684
210 2O3Z AI7 4.79705
211 2D4V NAD 4.91228
212 4UMX VVS 4.91228
213 4UMX NAP 4.91228
214 3CIF NAD 4.91228
215 4X3R 686 4.91228
216 3RWP ABQ 4.91228
217 6BFN DL1 4.91228
218 4JSR 1NQ 4.91228
219 3SFX JAN 4.91228
220 3SFX FII 4.91228
221 2VK4 TPP 4.91228
222 5VC5 96M 4.91228
223 3CIF G3H 4.91228
224 1WRA PC 4.91228
225 1XKQ NDP 5
226 2FAV APR 5
227 4QC6 30N 5.02793
228 6FDF SAH 5.08982
229 4R57 ACO 5.11364
230 4IZC 1GZ 5.26316
231 2E22 MAN 5.26316
232 4LWA Q13 5.26316
233 5YQW CBS 5.26316
234 4Q9N NAI 5.26316
235 4P6G 2FZ 5.30973
236 5TH5 7C5 5.32319
237 5JBX COA 5.36398
238 5B4T NAD 5.38462
239 5B4T 3HR 5.38462
240 2AF6 BRU 5.42636
241 2WA2 SAM 5.43478
242 2PAR TMP 5.47264
243 3PY5 AMP 5.47445
244 1I52 CTP 5.50847
245 3H4V NAP 5.55556
246 3H4V DVP 5.55556
247 3N0S ACO 5.59701
248 2CFC NAD 5.6
249 4EUU BX7 5.61404
250 2IHT TPP 5.61404
251 1UPA TPP 5.61404
252 3AIA SAM 5.61404
253 3GBR PRP 5.61404
254 3QLM PLM 5.64516
255 5LDQ NAP 5.64972
256 4R2M ANP 5.6962
257 3RKR NAP 5.72519
258 1U7T NAD 5.74713
259 4YLG GDP 5.78035
260 1AE1 NAP 5.86081
261 3ICC NAP 5.88235
262 6F9Q NAD 5.88235
263 2QDT I38 5.94796
264 1SZD APR 5.96491
265 3COW 52H 5.96491
266 3WXB NDP 5.96491
267 2P41 SAH 5.96491
268 6EDK 1YA 5.99078
269 5XKT GNP 6
270 2NP9 YE1 6.31579
271 2PK3 A2R 6.31579
272 5MW8 ATP 6.31579
273 2VBF TPP 6.31579
274 4CQM NAP 6.31579
275 2IHU TP9 6.31579
276 2NXW TPP 6.31579
277 3GFS FMN 6.32184
278 2ODE ALF GDP 6.38298
279 4ZVF GAV 6.39535
280 6GD6 EVB 6.48148
281 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 6.48148
282 4P86 5GP 6.55738
283 5UIU 8CG 6.66667
284 5FJJ MAN 6.66667
285 4HI0 GDP 6.69291
286 3IA4 NDP 6.79012
287 2CNT COA 6.875
288 3FC2 IBI 7.01754
289 1Q7E MET 7.01754
290 4Z3X 4KX 7.26257
291 4Z3X MTE 7.26257
292 5GLN XYP XYP XYP 7.36842
293 5DF1 58X 7.36842
294 5DF1 NAP 7.36842
295 3HJ1 UTP 7.36842
296 3WCS MAN NAG GAL 7.48031
297 6GL8 F3Q 7.55814
298 5WO4 B7V 7.7193
299 3WBF NAP 7.7193
300 3WBF API 7.7193
301 4LIK CIT 7.7193
302 3O7J 2AL 7.93651
303 2BR6 HSL 7.93651
304 3N7H DE3 8
305 5VYR B62 8.04598
306 5VYR GMP 8.04598
307 1HEX NAD 8.07018
308 2O4C NAD 8.07018
309 3GGO NAI 8.07018
310 5NWD 9C8 8.16327
311 1XG5 NAP 8.24373
312 3HNC TTP 8.42105
313 2WGH DTP 8.42105
314 1FDJ 13P 8.42105
315 5FEU NAP 8.59107
316 1V0C KNC 8.77193
317 1V0C ACO 8.77193
318 6GCB GSH 8.77193
319 3UDZ ADP 8.77193
320 6FL8 TIY 8.77193
321 6FL8 ADP 8.77193
322 2D3N GLC GLC 8.77193
323 2D3N GLC GLC GLC 8.77193
324 3X0V FAD 8.77193
325 1H74 ADP 8.78378
326 5HCY 60D 9.12281
327 5V7P SAH 9.12281
328 5OYH T99 9.32642
329 5FFF NAP 9.33852
330 5FFF 5XC 9.33852
331 1AOE NDP 9.375
332 1AOE GW3 9.375
333 3I6B KDO 9.44444
334 1QHH ATP 9.46746
335 3DST GRG 9.47368
336 6CI9 NAP 9.65251
337 6FFL GLC GLC GLC 9.82456
338 5ERG SAM 9.82456
339 5A4W QCT 10.1754
340 1EM6 CP4 10.1754
341 1U7Z PMT 10.177
342 2ZEJ GDP 10.8696
343 5WKC TP9 10.8772
344 1T9D FAD 10.8772
345 1T9D P25 10.8772
346 1T9D PYD 10.8772
347 1T9D 1MM 10.8772
348 5WKC AUJ 10.8772
349 4AT3 LTI 10.8772
350 5NQR 958 10.9589
351 5ZZ6 NAD 11.0577
352 2VSU ACO 11.2727
353 5E8J SAH 11.3636
354 4LHW GNP 11.4943
355 2PO3 T4K 11.5789
356 3NRZ FAD 11.5854
357 5EYK 5U5 11.8644
358 4XPL ACO 11.9298
359 1DUB CAA 12.2605
360 4U0W 16G 12.6016
361 4RJK TPP 12.6316
362 1A8R GTP 12.6697
363 4NP3 2L2 13.3333
364 4C2W ANP 13.4615
365 3E5A VX6 13.6364
366 2D5A COA 13.8889
367 2HMT NAI 13.8889
368 1JQ9 PHE LEU SER TYR LYS 14.0496
369 5O0B 9FE 14.8148
370 3WR7 COA 15.8824
371 4C2V YJA 15.9091
372 3A5Z KAA 16.1404
373 2XVD AS6 16.1404
374 5MJA 7O3 17.193
375 1ZPD DPX 17.8947
376 2EWM NAD 18.4739
Pocket No.: 2; Query (leader) PDB : 5OCQ; Ligand: 9RN G4S 9RN G4S; Similar sites found with APoc: 45
This union binding pocket(no: 2) in the query (biounit: 5ocq.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4WVW SLT 1.38889
2 5A65 TPP 1.84332
3 2V5K OXM 2.10526
4 2P7Q GG6 2.25564
5 4FFG LBS 2.45614
6 5JWP AKG 2.45614
7 1URX AAL GAL AAL GLA 2.48227
8 6FOF LAT 2.55102
9 5L2R MLA 2.80702
10 3I4X DST 2.80702
11 5TPU TYD 2.8777
12 3CBC DBS 3.0303
13 3WV6 GAL BGC 3.15789
14 6GR0 F8W 3.44828
15 2OVW CBI 3.50877
16 4HWS 1B3 3.50877
17 3VV1 GAL FUC 3.75
18 5VKI THR NGA GAL NAG 3.75
19 2D6M LBT 3.77358
20 1OJJ GLC GAL 3.85965
21 1OJK GLC BGC 3.85965
22 1ELI PYC 4.21053
23 3QRC SCR 5.09554
24 5HCA BGC 5.10949
25 5DYO FLU 6.13208
26 4H6B 10Y 6.66667
27 1VA6 ADP 7.01754
28 1VA6 P2S 7.01754
29 2VWT PYR 7.11611
30 3EMZ HXH 7.36842
31 5K21 6QF 7.80142
32 6GNO XDI 8.88889
33 3STK PLM 9.84848
34 1Y2F WAI 10.0719
35 6EWZ GTP 10.5485
36 5T7I LAT NAG GAL 10.9677
37 3MTX PGT 12.5828
38 4K55 H6P 12.9032
39 5L7V GNL 15.4386
40 4BPZ GLC BGC BGC 19.1406
41 3ZXE PGZ 21.8045
42 1ZM1 BGC BGC BGC 25.3112
43 5NBP BGC BGC BGC 29.4118
44 1U0A BGC BGC BGC BGC 30.8411
45 3B00 16A 38.6029
Pocket No.: 3; Query (leader) PDB : 5OCQ; Ligand: CIT; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 5ocq.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 3E5H GNP 3.93258
2 2ZE7 AMP 4.34783
3 2R0N FAD 4.5614
4 2R0N TGC 4.5614
5 1QZR CDX 4.5614
APoc FAQ
Feedback