Receptor
PDB id Resolution Class Description Source Keywords
1BWV 2.4 Å EC: 4.1.1.39 ACTIVATED RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE (R COMPLEXED WITH THE REACTION INTERMEDIATE ANALOGUE 2-CARBOXY1 ,5-BISPHOSPHATE GALDIERIA PARTITA CARBON DIOXIDE FIXATION COMPLEX (RUBISCO-REACTION INTERMEDIHIGH SPECIFICITY FACTOR LYASE
Ref.: CRYSTAL STRUCTURE OF CARBOXYLASE REACTION-ORIENTED 1, 5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM A THER RED ALGA, GALDIERIA PARTITA. J.BIOL.CHEM. V. 274 15655 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:491;
C:491;
E:491;
G:491;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C([C@...
MG A:490;
C:490;
E:490;
G:490;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BWV 2.4 Å EC: 4.1.1.39 ACTIVATED RIBULOSE 1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE (R COMPLEXED WITH THE REACTION INTERMEDIATE ANALOGUE 2-CARBOXY1 ,5-BISPHOSPHATE GALDIERIA PARTITA CARBON DIOXIDE FIXATION COMPLEX (RUBISCO-REACTION INTERMEDIHIGH SPECIFICITY FACTOR LYASE
Ref.: CRYSTAL STRUCTURE OF CARBOXYLASE REACTION-ORIENTED 1, 5-BISPHOSPHATE CARBOXYLASE/OXYGENASE FROM A THER RED ALGA, GALDIERIA PARTITA. J.BIOL.CHEM. V. 274 15655 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1BWV - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1BWV - CAP C6 H14 O13 P2 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1BWV - CAP C6 H14 O13 P2 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 CAP 1 1
2 XDP 0.543478 0.945946
3 DEZ 0.434783 0.918919
4 DER 0.434783 0.918919
5 4TP 0.416667 0.772727
6 PA5 0.408163 0.918919
7 R10 0.408163 0.918919
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 1BWV; Ligand: CAP; Similar sites found: 391
This union binding pocket (no: 1) in the query (biounit: 1bwv.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1BWV CAP 5.134e-21 1
2 1IR1 CAP 7.55e-15 0.78926
3 1RBO CAP 8.871e-14 0.76714
4 1CX9 NHP 0.0001566 0.44593
5 4JEJ 1GP 2.161e-05 0.41902
6 3KDN CAP 0.0006619 0.41883
7 1UZH CAP 3.015e-07 0.41547
8 1WDD CAP 3.374e-07 0.41464
9 1UWA CAP 7.257e-07 0.41386
10 1IR2 CAP 1.657e-07 0.41365
11 1RBL CAP 4.138e-07 0.41356
12 2V68 CAP 1.693e-07 0.41346
13 2V67 CAP 1.816e-07 0.41293
14 2V6A CAP 1.885e-07 0.41267
15 2VDH CAP 4.588e-07 0.41244
16 4I9A NCN 0.001178 0.4122
17 2V63 CAP 4.972e-07 0.41183
18 1UZD CAP 2.576e-07 0.41052
19 2OI2 DP6 0.0003094 0.40111
20 2FFC U5P 0.0009517 0.39919
21 1QDS PGA 0.000209 0.39662
22 2PTR 2SA 0.02138 0.39485
23 3AHC TPP 0.006188 0.39443
24 4PTZ FMN 0.003269 0.39179
25 2I2C DTA 0.04125 0.39056
26 1RYD NDP 0.01556 0.38987
27 1B55 4IP 0.0005341 0.38958
28 1FDJ 13P 0.001706 0.38776
29 2Q8M FBP 0.0009388 0.38724
30 1GVF PGH 0.000452 0.38667
31 1ECM TSA 0.000324 0.38586
32 1I2L DCS 0.002828 0.3854
33 1UCN ADP 0.001397 0.38537
34 3GVL SIA 0.04622 0.38309
35 1A5V Y3 0.0006001 0.37961
36 3WQM B29 0.008487 0.37953
37 3HT5 PMP 0.002013 0.3794
38 3UER BTU 0.002207 0.37918
39 3DDN HPV 0.0002594 0.37913
40 4LFL TG6 0.001476 0.37817
41 4IMG NGF 0.004505 0.37811
42 2ZSC BTN 0.002541 0.37806
43 1E4E PHY 0.0009865 0.37776
44 2WQP WQP 0.01721 0.37697
45 1UF5 CDT 0.01963 0.37633
46 4PLG NAI 0.03495 0.37552
47 1FDJ 2FP 0.004361 0.37433
48 3V1V GST 0.004158 0.37339
49 1PGP 6PG 0.04241 0.37336
50 4BI7 PGA 0.0006392 0.37279
51 2J51 DKI 0.002405 0.37128
52 1JK4 CYS 0.001628 0.37103
53 1SJD NPG 0.01712 0.37072
54 3HAZ FAD 0.03368 0.37038
55 4WBD ADP 0.000428 0.36884
56 2RHQ GAX 0.009184 0.36868
57 3D3H M4O 0.004447 0.36863
58 3QV9 QV7 0.0002389 0.36764
59 3MTW M3R 0.006588 0.36718
60 2JBH 5GP 0.003883 0.36692
61 2VAR AMP 0.002735 0.36679
62 1EB9 HBA 0.01046 0.36648
63 1EJE FMN 0.02124 0.36571
64 2Q8M AMP 0.002988 0.36511
65 4NES UD1 0.0116 0.36469
66 3LST SAH 0.007416 0.36412
67 1CBF SAH 0.006037 0.36411
68 3IL6 B83 0.006354 0.36406
69 1LYX PGA 0.04298 0.36393
70 2ORV 4TA 0.02976 0.36391
71 4D02 FMN 0.02463 0.36347
72 1EP2 FMN 0.04811 0.36341
73 1EZV SMA 0.03086 0.36336
74 4C58 824 0.01019 0.36316
75 1VBH PEP 0.001017 0.36274
76 1A59 COA 0.01164 0.36219
77 2F2U M77 0.005829 0.36186
78 3F3E LEU 0.004515 0.3617
79 1N51 01B 0.01104 0.36142
80 2ZJ3 G6P 0.005163 0.36022
81 4JP3 CIT 0.001006 0.35994
82 4BCS BTN 0.01239 0.35991
83 2J0W ADP 0.01693 0.35948
84 1WDA BAG 0.002842 0.35917
85 1UZN NAP 0.005459 0.35892
86 1MOQ GLP 0.01132 0.35856
87 2IYG FMN 0.01038 0.35835
88 1T57 FMN 0.03488 0.35819
89 4CKL SM8 0.03901 0.35814
90 4AIG FLX 0.01113 0.35764
91 2C2A ADP 0.01591 0.3576
92 3UST FAD 0.01259 0.35758
93 4C6F NCD 0.01165 0.35719
94 4LNL 2BK 0.0153 0.3568
95 4LNL 2BO 0.0153 0.3568
96 3DG6 MUC 0.008195 0.35677
97 1V2X SAM 0.01584 0.35628
98 1P9B HDA 0.0008532 0.35611
99 2YDW WSH 0.008748 0.35604
100 1NNS ASP 0.003489 0.35563
101 4M2K PLP 0.006651 0.35551
102 3JDW ORN 0.00639 0.35549
103 2C81 PMP 0.01854 0.35542
104 1QB7 ADE 0.009187 0.35516
105 4DEC UDP 0.003771 0.35503
106 2YK7 CSF 0.02335 0.35487
107 2Y7G AAE 0.01562 0.35487
108 3SVL FMN 0.01563 0.35453
109 1E2S CSN 0.007621 0.35437
110 2HVW DDN 0.007506 0.35431
111 4AF5 CIT 0.0006229 0.35418
112 2C5S AMP 0.004372 0.35391
113 1QS0 TDP 0.03248 0.3537
114 3ZTV ADN 0.0008522 0.35349
115 1AUX AGS 0.01886 0.35348
116 2ZE3 AKG 0.004628 0.35341
117 2WM1 13P 0.007892 0.35325
118 5FIT AP2 0.0193 0.3531
119 4A6D SAM 0.01721 0.35304
120 2VQ5 LDP 0.01142 0.35247
121 1B5E DCM 0.00569 0.35193
122 4G09 0VD 0.01212 0.35184
123 3JQ3 ADP 0.01527 0.3517
124 3UER TUR 0.01043 0.35139
125 3SUC ATP 0.02847 0.35138
126 4NPT 017 0.002935 0.35119
127 1F74 NAY 0.01711 0.35078
128 1UOU CMU 0.01104 0.35067
129 1WHT BZS 0.002995 0.35032
130 1E5F PLP 0.02014 0.35029
131 4L7I SAM 0.026 0.34992
132 3T2W BTN 0.009271 0.34966
133 1I1Q TRP 0.009902 0.34941
134 2DWO F6P 0.003424 0.34931
135 1Y8O ADP 0.006716 0.34913
136 1VQ2 DDN 0.03063 0.34909
137 3ZRR PXG 0.04257 0.34905
138 3IHB GLU 0.000903 0.34891
139 3RK0 AMP 0.006 0.34874
140 4L1F COS 0.03765 0.3481
141 4AMV F6R 0.01306 0.34776
142 3NFZ 3NF 0.006113 0.34771
143 2PTZ PAH 0.02422 0.34759
144 3H22 B53 0.02127 0.34751
145 3RKR NAP 0.01084 0.34749
146 2WA4 069 0.03159 0.34716
147 3BS8 PMP 0.009916 0.34708
148 1A27 EST 0.009537 0.347
149 1AX2 NDG 0.005273 0.347
150 1D2S DHT 0.006744 0.34695
151 2J5S KTA 0.007677 0.34688
152 2HXT EHM 0.02465 0.34639
153 4DN8 BMA 0.01763 0.34621
154 2G36 TRP 0.01452 0.34605
155 1RZM PEP 0.00187 0.34586
156 3P0F BAU 0.01993 0.34556
157 1YFX 4AA 0.006837 0.34542
158 1KTC NGA 0.005664 0.34527
159 1Y9Q MED 0.003278 0.34522
160 1K6M AGS 0.04642 0.3452
161 4AQL TXC 0.03554 0.34489
162 1Z45 GAL 0.008924 0.34489
163 1VF1 GSH 0.04268 0.34473
164 4F2O QUS 0.01832 0.34471
165 4MOB ADP 0.0486 0.34443
166 4C2G ALA 0.002096 0.34383
167 3A1I UNU 0.004498 0.34378
168 3ACC 5GP 0.01666 0.34374
169 3PLN U5P 0.008629 0.34371
170 4ME6 ADP 0.01211 0.34357
171 3UIE ANP 0.02491 0.34346
172 3ZLM ANP 0.04323 0.34332
173 2EFJ 37T 0.00951 0.34328
174 1Y2W NAG 0.005815 0.34328
175 2PVQ GSH 0.03696 0.34281
176 2OZE AGS 0.0389 0.3428
177 2ZYF AKG 0.006893 0.34243
178 4KCT FDP 0.02048 0.34236
179 2AMV BIN 0.006721 0.34213
180 1ULE GLA 0.008757 0.34206
181 1FBL HTA 0.009584 0.34188
182 4CCN OGA 0.002396 0.34184
183 1GU3 BGC 0.01174 0.34174
184 3TFC PEP 0.002855 0.34141
185 2VAR KDG 0.02013 0.3414
186 2VAR KDF 0.02013 0.3414
187 3B96 MYA 0.04167 0.34136
188 3OCZ SRA 0.006995 0.34098
189 2XUM OGA 0.007688 0.34094
190 3LM9 ADP 0.006467 0.34081
191 2V5K OXM 0.01483 0.34077
192 2CJH AKG 0.0234 0.3405
193 1PFK FBP 0.01146 0.34048
194 4G9P CDI 0.02562 0.34025
195 1ZGA SAH 0.01208 0.34024
196 3MD0 GDP 0.0143 0.34017
197 1F1V DHY 0.02295 0.34008
198 1M1B SPV 0.004194 0.34003
199 1JOT GAL 0.01321 0.33996
200 1FW1 GSH 0.04977 0.33989
201 3D8C AKG 0.01052 0.33982
202 1H2K OGA 0.01451 0.33977
203 3NNF AKG 0.008931 0.33949
204 3WKX FUB 0.004408 0.33946
205 1RQH PYR 0.004062 0.33941
206 4WX0 HXD 0.04138 0.33923
207 4Q3F TLA 0.0134 0.33903
208 4ARF IP8 0.01955 0.33898
209 2PYU IMP 0.003532 0.33894
210 4LNL PLG 0.03489 0.3387
211 2WCV FUC 0.00697 0.33865
212 3OZG SSI 0.04712 0.33838
213 2O2C G6Q 0.0189 0.33836
214 3UCJ AZM 0.01845 0.33811
215 1Y13 BIO 0.01356 0.33797
216 1X92 M7P 0.02969 0.33797
217 2Z9V PXM 0.0112 0.33783
218 2NZ2 ASP 0.006046 0.33781
219 2B7N NTM 0.005174 0.33775
220 1OIK AKG 0.0205 0.33771
221 1NOW IFG 0.004605 0.33753
222 3W54 RNB 0.02226 0.33733
223 1OGD RIP 0.005445 0.33713
224 1IS3 LAT 0.002209 0.33708
225 4HZO COA 0.02906 0.3367
226 2Y0I AKG 0.009573 0.33623
227 4COQ SAN 0.003354 0.33616
228 1EYE PMM 0.04631 0.33589
229 1Q11 TYE 0.01131 0.33554
230 1VJO PLP 0.02858 0.33546
231 3WCS MAN 0.02593 0.33529
232 1MZV AMP 0.01538 0.33521
233 1FWE HAE 0.01929 0.33512
234 3O03 GCO 0.02589 0.33498
235 1UAY ADN 0.02308 0.33486
236 3QP6 HL6 0.04844 0.33452
237 1GSL FUC 0.0458 0.33442
238 4C1K PEP 0.01552 0.33441
239 2Q37 3AL 0.0107 0.33433
240 1VR0 3SL 0.02811 0.3342
241 2HVW DCP 0.03969 0.33404
242 2AQJ TRP 0.03608 0.33394
243 4LHM AZZ 0.005948 0.33391
244 1R5A GTS 0.02054 0.33382
245 1KC7 PPR 0.005159 0.33371
246 3UIE ADX 0.03369 0.33352
247 2NCD ADP 0.01203 0.33333
248 3ZF8 GDP 0.04719 0.33321
249 1T10 F6P 0.001455 0.33296
250 4KCT PYR 0.02031 0.33282
251 3QP4 HL0 0.03326 0.33266
252 1C1L GAL 0.002294 0.33263
253 1V03 BGC 0.02706 0.33229
254 2QCX PF1 0.006503 0.33224
255 2W1A TSA 0.02347 0.33219
256 4ASL GAL 0.007366 0.33218
257 1Z44 FMN 0.03124 0.33212
258 4KGM ATP 0.0105 0.33198
259 1X8X TYR 0.02124 0.33162
260 4DEW LU2 0.03725 0.33154
261 3IB8 AMP 0.02685 0.33153
262 4FGC PQ0 0.02804 0.33153
263 2JFV FLC 0.008561 0.33129
264 1H2M OGA 0.01327 0.33102
265 2WCI GSH 0.01319 0.33099
266 3GM5 CIT 0.01003 0.33091
267 3FC2 IBI 0.04179 0.33086
268 4G28 0W8 0.03548 0.33067
269 2FUE M1P 0.01087 0.3306
270 2CFU 1DB 0.04333 0.33025
271 1ZZ7 S0H 0.01972 0.32998
272 2VWT PYR 0.004155 0.32957
273 1G8S MET 0.004985 0.32957
274 1TH8 ADP 0.04274 0.32938
275 1Z6K OAA 0.009435 0.32922
276 2J0W ASP 0.000659 0.32892
277 3QDY A2G 0.002554 0.32881
278 4B7E OGA 0.03219 0.32855
279 4G10 GSH 0.0251 0.32823
280 3PMD 11A 0.008274 0.32786
281 1NF8 ISC 0.03144 0.32782
282 1NX4 AKG 0.009533 0.32764
283 1U3I GSH 0.015 0.32728
284 1Y42 TYR 0.01139 0.32723
285 2AZ3 CDP 0.0159 0.32687
286 4BT5 23B 0.03714 0.32683
287 3CBG FER 0.001209 0.32675
288 3VPQ GSH 0.02718 0.32645
289 2HW1 FRU 0.008352 0.32603
290 2QF7 COA 0.03408 0.32599
291 3MCT 3MC 0.01052 0.32554
292 2NZU BG6 0.02689 0.32543
293 3PY5 AMP 0.03901 0.32475
294 1GPJ GMC 0.01426 0.32464
295 4CIB 7UZ 0.005423 0.32431
296 2NVK NAP 0.02918 0.32411
297 1HQL GLA 0.008137 0.3239
298 4USS GSH 0.01684 0.32386
299 3F81 STT 0.004675 0.32384
300 2EB5 OXL 0.007407 0.32362
301 3UEC ALA 0.01407 0.32353
302 3I8T LBT 0.02735 0.32349
303 1H16 COA 0.02733 0.32338
304 3KT7 AKG 0.005647 0.32199
305 2DKH 3HB 0.001198 0.3214
306 4UOH ADP 0.02042 0.32074
307 2BOI MFU 0.01746 0.3206
308 3QDX A2G 0.004712 0.32
309 2X0K PPV 0.02662 0.31996
310 3QDT A2G 0.00486 0.3199
311 4HVK PMP 0.01883 0.3191
312 3L6R MLI 0.006153 0.31841
313 1GJW GLC 0.01311 0.31835
314 2IUW AKG 0.02157 0.31819
315 2P69 PLP 0.03175 0.31752
316 3CBG 4FE 0.001951 0.31647
317 4KSY 1SY 0.03596 0.31546
318 2YIV NBN 0.005474 0.31501
319 2Q8H TF4 0.0001974 0.31413
320 4M5P 23W 0.03835 0.31409
321 3QDW A2G 0.01273 0.31375
322 2YLD CMO 0.04113 0.31341
323 4E28 9MZ 0.04906 0.31324
324 3GTD MLI 0.01463 0.31312
325 4M51 BEZ 0.005215 0.31292
326 1ZS6 ADP 0.01026 0.31236
327 3P7I P7I 0.03575 0.31234
328 1RZM E4P 0.004981 0.3118
329 3W8S GSH 0.04 0.3108
330 3QDW NDG 0.02287 0.3106
331 3O2K DST 0.04817 0.31041
332 1FUR MLT 0.002332 0.3094
333 2QLX RM4 0.0115 0.30778
334 3QDV A2G 0.01018 0.30756
335 4CCO OGA 0.03339 0.30732
336 1TUV VK3 0.02412 0.30698
337 4EXO PYR 0.01801 0.30696
338 3E4O SIN 0.02596 0.30618
339 1HK8 DGT 0.01864 0.30583
340 1YOA FMN 0.0006012 0.30555
341 1Q6O LG6 0.03827 0.3052
342 4DEC 3PG 0.0007068 0.30405
343 3QDY CBS 0.01912 0.30343
344 2OEM 1AE 0.004532 0.30296
345 3SCH TB6 0.03031 0.30199
346 1JZN BGC 0.02288 0.301
347 3GD8 BOG 0.03177 0.3002
348 4WBD CIT 0.03697 0.29955
349 3VCA PRO 0.04158 0.29944
350 3S1W FLC 0.04191 0.29919
351 1B74 DGN 0.04433 0.2991
352 1NF8 BOG 0.04959 0.29858
353 4NAO AKG 0.03442 0.29824
354 3L24 GOA 0.009061 0.29818
355 4LIT AKG 0.04766 0.29798
356 2OBT GAL 0.02051 0.29793
357 3CL5 SIO 0.01884 0.29778
358 1I0Z OXM 0.02534 0.29699
359 1GPJ CIT 0.008255 0.29696
360 3QDX CBS 0.02665 0.29682
361 2BZ1 TAU 0.009383 0.29631
362 1SOW OXL 0.0474 0.29608
363 1SC3 MLI 0.04702 0.2957
364 3EXS 5RP 0.002797 0.29527
365 3WCS NAG 0.043 0.29497
366 2Q3M MLA 0.02922 0.29464
367 2Z6I FMN 0.03181 0.29414
368 1QH9 LAC 0.03892 0.29398
369 2YD6 FLC 0.001144 0.29366
370 2ASF CIT 0.003976 0.29293
371 1QO0 BMD 0.04608 0.29279
372 4NAE 1GP 0.005583 0.29276
373 2VDJ HSE 0.02542 0.29251
374 2XI7 XI7 0.00475 0.29179
375 1PDZ PGA 0.01255 0.29163
376 1TB4 PEJ 0.005952 0.29101
377 1JAC AMG 0.01983 0.29014
378 3UDG TMP 0.0375 0.28982
379 1UO4 PIH 0.001077 0.28967
380 1Z44 NPO 0.03513 0.2896
381 2YPI PGA 0.0489 0.28881
382 4EWN 0VR 0.0297 0.28875
383 3KPE TM3 0.02297 0.28673
384 3BHO B4P 0.01567 0.28558
385 3R51 MMA 0.02609 0.28525
386 4G0A G 0.002574 0.28318
387 2X2T GAL 0.034 0.28238
388 3TKA CTN 0.001313 0.27998
389 1BTN I3P 0.005307 0.27812
390 3UBW 6SP 0.0004071 0.27541
391 3ICV NAG 0.03994 0.27534
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