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Receptor
PDB id Resolution Class Description Source Keywords
2B4G 1.95 Å EC: 1.3.5.2 DIHYDROOROTATE DEHYDROGENASE TRYPANOSOMA BRUCEI STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE STRUGENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM SGPP OXIDOREDU
Ref.: CHARACTERIZATION OF TRYPANOSOMA BRUCEI DIHYDROOROTA DEHYDROGENASE AS A POSSIBLE DRUG TARGET; STRUCTURAL AND RNAI STUDIES MOL.MICROBIOL. V. 68 37 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:1411;
A:1412;
A:1414;
A:1415;
B:1413;
B:2410;
C:3410;
C:3411;
C:4410;
D:4411;
D:4412;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
79.904 Br [Br-]
FMN A:1400;
B:2400;
C:3400;
D:4400;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:1401;
A:1403;
C:3401;
D:4401;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ORO A:1399;
B:2399;
C:3399;
D:4399;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
156.096 C5 H4 N2 O4 C1=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XFV 1.79 Å EC: 1.3.5.2 CRYSTAL STRUCTURES OF FMN-BOUND FORM OF DIHYDROOROTATE DEHYD FROM TRYPANOSOMA BRUCEI TRYPANOSOMA BRUCEI BRUCEI STRAIN 927/4GUTAT10.1 NEGLECTED TROPICAL DISEASES FLAVIN ENZYME PYRIMIDINE METABOLOXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF FMN-BOUND AND FMN-FREE FORMS DIHYDROOROTATE DEHYDROGENASE FROMTRYPANOSOMA BRUCEI FEBS OPEN BIO V. 8 680 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 3OIX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: ORO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ORO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XFV; Ligand: FMN; Similar sites found with APoc: 327
This union binding pocket(no: 1) in the query (biounit: 5xfv.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5MWE TCE None
2 1P4C FMN 1.49701
3 3ITJ CIT 1.49701
4 3WEC AUI 1.49701
5 6BFG FMN 1.49701
6 4C2G ALA ALA ALA ALA 1.49701
7 4O48 ASP 1.50602
8 4PVR ASP 1.6129
9 5WSY 7UC 1.7341
10 5IM3 DTP 1.79641
11 4PPF FLC 1.79641
12 4DOE CBK 1.79641
13 3QH2 3NM 1.80995
14 4HKP 16B 1.92308
15 1SZO CAX 1.94553
16 1Z6K OAA 2.04778
17 5OCS FMN 2.09581
18 4IXH IMP 2.09581
19 3PGU OLA 2.09581
20 4AX7 4MU BGC BGC 2.09581
21 5NC1 NAG 2.1097
22 2JK0 ASP 2.15385
23 3W9Z FMN 2.17391
24 5KBE IPH 2.18341
25 1Y7P RIP 2.24215
26 1C3X 8IG 2.25564
27 3GLC R5P 2.37288
28 4JLZ UTP 2.39521
29 5YJS SAL 2.39521
30 4M26 AKG 2.39521
31 5N0O SAM 2.39521
32 4M5P FMN 2.39521
33 1TRD PGH 2.4
34 2YPI PGA 2.42915
35 6BVE PGA 2.44898
36 1M3U KPL 2.65152
37 5TZO 7V7 2.65957
38 5WHU SIA 2.68456
39 5WHU SIA GAL GLC 2.68456
40 2R14 FMN 2.69461
41 4JIQ 1L5 2.69461
42 4JIQ FMN 2.69461
43 2R14 TXD 2.69461
44 1XF1 CIT 2.69461
45 1OYB HBA 2.69461
46 1OYB FMN 2.69461
47 2J5B TYE 2.69461
48 2H8Z FMN 2.69461
49 2H8Z 8CM 2.69461
50 1KYZ FER 2.69461
51 1Q6O LG6 2.77778
52 1VHN FMN 2.83019
53 5AJU RP5 2.91971
54 2B4B COA 2.92398
55 2B4D COA 2.92398
56 5Z49 RUB 2.92887
57 1JG3 ADN 2.97872
58 1ME8 RVP 2.98211
59 4CW5 FMN 2.99401
60 2BHZ MAL 2.99401
61 6M7X JD7 2.99401
62 1CZA G6P 2.99401
63 4D1J DGJ 2.99401
64 2HHJ DG2 2.99625
65 2HHJ 3PG 2.99625
66 1W8S FBP 3.04183
67 4BI7 PGA 3.11284
68 1DJN FMN 3.29341
69 1JT1 MCO 3.29341
70 1NSZ GLC 3.29341
71 5VLC HSO 3.29341
72 5B3A 0JO 3.29341
73 4FL0 PLP 3.29341
74 2GN3 MMA 3.57143
75 1QDS PGA 3.58566
76 1BXG HCI 3.59281
77 4RF7 ARG 3.59281
78 5JXZ ISJ 3.59281
79 5JXZ ISC 3.59281
80 3WGC PLG 3.59281
81 5JY4 ISC 3.59281
82 5EYW PGA 3.61446
83 3EXS 5RP 3.61991
84 1LYX PGA 3.62903
85 1BWV CAP 3.65112
86 1M5W DXP 3.7037
87 3GAY P6T 3.71517
88 1VKF CIT 3.7234
89 1J54 TMP 3.76344
90 4I9A NCN 3.81944
91 3UWV 2PG 3.83142
92 1XXA ARG 3.84615
93 6BKA FMN 3.89222
94 4XP7 FNR 3.89222
95 4TR9 38D 3.89222
96 4XFM THE 3.89222
97 1PVN MZP 3.98936
98 1SW0 PGA 4.03226
99 2ACO VCA 4.04624
100 3E3U NVC 4.06091
101 2J8R MSL 4.06977
102 5T52 A2G 4.13223
103 4LRJ ANP 4.14201
104 4K7O EKZ 4.16667
105 4HBM 0Y7 4.16667
106 1Q1Y BB2 4.18848
107 4A3U FMN 4.19162
108 1JQN DCO 4.19162
109 4IEE AGS 4.19162
110 5GJO PLP 4.19162
111 3HQP FDP 4.19162
112 4D52 GXL 4.19162
113 3NZ1 3NY 4.21456
114 2Z6I FMN 4.21687
115 1QPR PPC 4.22535
116 2WCV FUC 4.28571
117 4UTU LRY 4.36681
118 4UTW RFW 4.36681
119 4Q4K FMN 4.49102
120 2UXR ICT 4.49102
121 4JEJ 1GP 4.5082
122 2Z6J FMN 4.51807
123 2OHV NHL 4.54545
124 4P5E N6P 4.60526
125 3G5N PB2 4.62185
126 1GPJ CIT 4.70297
127 1PS9 FMN 4.79042
128 2HSA FMN 4.79042
129 5CX6 CDP 4.79042
130 3ZSN MIV 4.79042
131 1ZFJ IMP 4.79042
132 1OX5 1PR 4.79042
133 3F4F UMP 4.79042
134 2G50 PYR 4.79042
135 5TE1 7A2 4.79042
136 2Y2B AH0 4.81283
137 5JPH COA 4.86111
138 3RET SAL 4.9505
139 3RET PYR 4.9505
140 3RGG AIR 5.03145
141 6F90 MVL 5.08982
142 5EVY FAD 5.08982
143 4OOE FOM 5.08982
144 1V1A KDG 5.17799
145 3ZZH NLG 5.21173
146 3ZZH ARG 5.21173
147 4EES FMN 5.21739
148 1M26 GAL A2G 5.26316
149 2DBX GLU 5.26316
150 5JBX MLI 5.36398
151 2OEM 1AE 5.38922
152 5KJW 53C 5.38922
153 2ZTG A5A 5.38922
154 4BHN BH9 5.38922
155 3A75 GLU 5.40541
156 5IFK HPA 5.44872
157 4FGC PQ0 5.45455
158 4YMZ 13P 5.57769
159 5LU5 M7P 5.58376
160 2RDT FMN 5.68862
161 2RDT 2RD 5.68862
162 1OFD AKG 5.68862
163 4AF0 IMP 5.68862
164 1OFD FMN 5.68862
165 4TQK NAG 5.68862
166 2C6Q IMP 5.68862
167 2AL2 PEP 5.68862
168 4ETZ C2E 5.72391
169 2II3 CAO 5.72519
170 5CSS G3P 5.75221
171 5N9Z CAP 5.7554
172 5OYA CAP 5.7554
173 1Y2F WAI 5.7554
174 4NTK ZSP 5.78512
175 4NTM 2K8 5.78512
176 1NE7 AGP 5.88235
177 5JGL SAM 5.88235
178 1TL2 NDG 5.9322
179 1GVF PGH 5.94406
180 6HKE LMR 5.97484
181 6HKE MLT 5.97484
182 1KBI PYR 5.98802
183 1KBI FMN 5.98802
184 1KBJ FMN 5.98802
185 2GJN NIS 5.98802
186 2GJN FMN 5.98802
187 1WDD CAP 5.98802
188 3HNC TTP 5.98802
189 5L2R LMR 5.98802
190 3TAO PGH 5.99251
191 5YRV 5AD 6
192 1PTR PRB 6
193 1D1Q 4NP 6.21118
194 1UJP CIT 6.27306
195 4N02 FNR 6.28743
196 3BW2 FMN 6.28743
197 1FDJ 13P 6.28743
198 6MJF SAH 6.28743
199 2GOU FMN 6.28743
200 4C1W SLT 6.38298
201 2FJK 13P 6.55738
202 1Z82 G3H 6.56716
203 1Z82 G3P 6.56716
204 2Q3R FMN 6.58683
205 3HF3 FMN 6.58683
206 3ATY FMN 6.58683
207 1ICP FMN 6.58683
208 4XWM CBI 6.58683
209 2XYA 7L4 6.59341
210 4PU6 ASP 6.59898
211 2F6U CIT 6.83761
212 3B0P FMN 6.88623
213 5WXU FLC 6.88623
214 4V15 PLP 6.88623
215 5XNC N4P 6.88623
216 2X5F PLP 6.88623
217 3OUM TOF 6.89655
218 2Z6D FMN 6.92308
219 3AXK NDP 6.97674
220 4J25 OGA 6.9869
221 5AHN IMP 7.18563
222 5AHM IMP 7.18563
223 2YIP YIO 7.24638
224 1IR1 CAP 7.31707
225 1RBL CAP 7.33945
226 4UP4 NDG 7.48503
227 4UP4 NAG 7.48503
228 1E5Q SHR 7.48503
229 3EC1 GDP 7.48503
230 4UP4 GAL NAG 7.48503
231 5EPO TUD 7.63359
232 4TMC FMN 7.78443
233 4TMC HBA 7.78443
234 1VYP FMN 7.78443
235 1VYP TNF 7.78443
236 3U7Q HCA 7.78443
237 5CIC 51R 7.82313
238 6BSX E7S 7.86517
239 4EWN 0VR 7.90514
240 3KP6 SAL 7.94702
241 2V67 CAP 8.08383
242 4Z0G 5GP 8.08383
243 2V6A CAP 8.08383
244 1UZD CAP 8.08383
245 1T9D P22 8.08383
246 2V68 CAP 8.08383
247 2V63 CAP 8.08383
248 2VDH CAP 8.08383
249 1UZH CAP 8.08383
250 5TG5 JW8 8.16327
251 4A34 FUL 8.16327
252 1Y13 BIO 8.28729
253 2VSS V55 8.33333
254 1GZ4 FUM 8.38323
255 3B1Q NOS 8.58896
256 2YLD CMO 8.66142
257 1TSD F89 8.67924
258 1AL8 FMN 8.68263
259 1AL8 DHP 8.68263
260 2FHE GSH 8.7963
261 2PAR TMP 8.95522
262 3KRU FMN 8.98204
263 4A59 AMP 8.98204
264 4DDY DN6 9.12547
265 3HY2 ATP 9.2233
266 4NAE 1GP 9.33333
267 1UNQ 4IP 9.6
268 2HT6 GDP 9.77011
269 3QDW NDG 9.79021
270 5GVH FMN 9.87261
271 1Q2D COA 9.87654
272 1Z44 FMN 9.88024
273 1Z48 FMN 9.88024
274 1Z42 FMN 9.88024
275 1Z41 FMN 9.88024
276 2FLI DX5 10
277 2QMC GTB 10.1064
278 2OL1 UMP 10.2041
279 1NX4 AKG 10.2564
280 6DVH FMN 10.479
281 4Z2S NDG 10.5634
282 4Z2S NAG 10.5634
283 2OFE NAG 10.5634
284 5M45 AMP 10.7143
285 4QNW FMN 10.7784
286 3OVR 5SP 10.9649
287 2Q3O FMN 11.0778
288 4YFB PAC 11.0778
289 3SAO DBH 11.25
290 2NLI FMN 11.3772
291 2NLI LAC 11.3772
292 1IR2 CAP 11.4286
293 4INI AMP 11.5385
294 1JCM 137 11.583
295 3CTL S6P 11.6766
296 3FAL REA 12.0301
297 2OO0 PLP 12.2754
298 4EZW ASN ARG LEU LEU LEU THR GLY 12.3288
299 1Y2W NAG 12.6761
300 2ZRU FMN 12.8743
301 5K2M ADP 13.2075
302 4JX1 CAH 13.2743
303 2RI1 GLP 13.617
304 1Q7L GLY 13.6364
305 3N9R TD3 13.6808
306 3C56 PH4 13.6808
307 1BO4 COA 13.6905
308 2TPS TPS 14.0969
309 3WCS MAN NAG 14.1732
310 2BTM PGA 14.6825
311 5OCG 9R5 15.3439
312 2QUN FUD 15.5172
313 5TCI MLI 16.3043
314 3QPB R1P 16.3121
315 1MID LAP 16.4835
316 5C2N NAG 16.6667
317 6FA4 D1W 16.763
318 1TB3 FMN 17.0659
319 2IMG MLT 17.2185
320 1JQY A32 29.1262
321 1F76 FMN 34.4311
322 1F76 ORO 34.4311
323 1QSN COA 36.3636
324 1GTE IUR 42.515
325 1GTE FMN 42.515
326 1EP2 FMN 45.0161
327 1EP2 ORO 45.0161
Pocket No.: 2; Query (leader) PDB : 5XFV; Ligand: FMN; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 5xfv.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4K91 SIN 1.49701
2 4ZCW 4NG 1.49701
3 3PPQ CHT 1.60772
4 5A1S FLC 1.79641
5 3P9T TCL 1.82648
6 2AJ4 GLA 2.09581
7 4KCT FDP 2.09581
8 2OG7 SIN 2.09581
9 2OG2 MLI 2.09581
10 2HBL AMP 2.39521
11 4QCK ASD 2.39521
12 3CL5 SIO 2.39521
13 3GXO MQA 2.39521
14 1OJ4 ANP 2.4735
15 3ENV ABF 2.55319
16 2VAR KDG 2.55591
17 5V6F MAN BMA MAN 2.89855
18 3K7S R52 3.35196
19 2W5P CL8 3.3557
20 1H5S TMP 3.41297
21 2F5X ASP 3.52564
22 5D2H AKG 3.53357
23 2GMP NAG MAN 3.57143
24 3ISN EDM 3.59281
25 1SO0 GAL 3.59281
26 1VMK GUN 3.61011
27 4USF 6UI 3.61842
28 3D04 SAK 3.77358
29 4HE2 AMP 3.89222
30 3BJE R1P 3.89222
31 3A76 SPD 3.97727
32 4Q9N 0WE 4.02685
33 1E4E PHY 4.19162
34 4DD8 BAT 4.19162
35 2YW2 ATP 4.49102
36 1OGD RIP 4.58015
37 2XZ9 PYR 4.62963
38 4ZSI 4R1 4.67836
39 1NJJ ORX 4.79042
40 4P8O 883 4.81283
41 3K8D KDO 4.92424
42 4JGT PYR 5.01672
43 2HI4 BHF 5.38922
44 3VGL ANP 5.60748
45 1O9W NAG 5.64972
46 2AL2 2PG 5.68862
47 2WKQ FMN 5.72289
48 4FFG 0U8 6.09756
49 6FLZ MMA 6.94444
50 4CSD MFU 6.98529
51 3G1Z AMP 7.36196
52 1XI9 PLP 7.38916
53 1XXR MAN 7.45342
54 5J32 IPM 7.48503
55 4YEE 4CQ 7.77778
56 5TQZ GLC 8
57 5EPL 5R0 PHE ALA LEU ELY 5R5 8.33333
58 3QDU CBS CBS 9.79021
59 3QDV NDG 9.79021
60 3QDX CBS 9.79021
61 3QDY CBS 9.79021
62 6FWH 5LD 10.1523
63 2OFD NGA 10.5634
64 4NST ADP 10.7784
65 2EAE FUL 11.0778
66 2QPU QPU 11.976
67 2QPU QPS 11.976
68 1LPD ADE 13.7795
69 1NBU PH2 14.2857
Pocket No.: 3; Query (leader) PDB : 5XFV; Ligand: FMN; Similar sites found with APoc: 47
This union binding pocket(no: 3) in the query (biounit: 5xfv.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPB SAM None
2 3BP1 GUN 1.03448
3 6CZY PMP 1.1976
4 4RW3 IPD 1.98676
5 3SHR CMP 2.00669
6 4ZM4 PLP 2.09581
7 2F9W PAU 2.21402
8 2QCD U5P 2.30769
9 3WVR AMP 2.39521
10 4BJH DOR 2.39521
11 5MB4 NAG 2.39521
12 5WP4 PC 2.39521
13 2VAR KDF 2.55591
14 1OIJ AKG 2.65781
15 4BG4 ARG 2.69461
16 1VBH PEP 2.69461
17 2WE0 UMP 2.7972
18 5OD2 5ID 2.83843
19 5WZE PRO 2.99401
20 2Z49 AMG 3.29341
21 1H5R THM 3.41297
22 1C1D PHE 3.59281
23 3MDV CL6 3.59281
24 6B9T 2HE 3.89222
25 6EXF LYS 3.89222
26 4UDK NDG 4.19162
27 1X0P FAD 4.1958
28 2CFC KPC 4.4
29 1YBQ BDH 4.49102
30 2BLE 5GP 4.49102
31 4UUU SAM 4.51613
32 6GNO XDI 5.92593
33 1I7M CG 5.97015
34 1FDJ 2FP 6.28743
35 5HLD M0E 8.08383
36 6CI9 F3V 8.10811
37 2PR5 FMN 8.33333
38 3OCP CMP 8.63309
39 3EJ0 11X 8.67347
40 3AI3 SOE 9.88593
41 5TED SKM 11.5044
42 3CYI ATP 12.7273
43 4PSW COA 13.1579
44 4JX1 CAM 13.2743
45 3H0L ADP 18.0851
46 3IWD M2T 20.5882
47 1PUA COA 26.3158
Pocket No.: 4; Query (leader) PDB : 5XFV; Ligand: FMN; Similar sites found with APoc: 64
This union binding pocket(no: 4) in the query (biounit: 5xfv.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 3KIH GDL None
2 1SGJ OAA 1.05634
3 2FQX GMP 1.57233
4 5THY SAH 1.79641
5 3T7S SAM 1.86567
6 4MCC 21X 2.03252
7 3KCC CMP 2.30769
8 2F2U M77 2.39521
9 3BBD SAH 2.43902
10 2WW4 ADP 2.4735
11 1VBJ CIT 2.84698
12 2BIF BOG 2.99401
13 1L5J TRA 3.29341
14 1JN2 SFP 3.37553
15 1H5T TYD 3.41297
16 1C1X HFA 3.59281
17 5XHA FRU 3.59281
18 4CUB GAL NAG 3.82514
19 1N71 COA 3.88889
20 5WS9 OXL 3.89222
21 2XHK AKG 4.05405
22 5T9C G3P 4.10448
23 5DKK FMN 4.13793
24 3HQP OXL 4.19162
25 4Z4P SAH 4.21687
26 3FJG 3PG 4.38247
27 4MA6 28E 4.4586
28 6C4A PYR 4.75113
29 5TDF 7A3 4.79042
30 2XQ0 BES 4.79042
31 3P13 RIP 4.86111
32 1TIQ COA 5
33 1FRW GTP 5.15464
34 2CJW GDP 5.20833
35 2EG7 OTD 5.38922
36 5BO9 CSF 5.57276
37 5ABF XRJ 5.68862
38 4NSQ COA 5.78947
39 3RKR NAP 6.10687
40 3MBI ADP 6.27178
41 3Q2K HP7 6.28743
42 2MJP ANP 6.73575
43 1LVW TYD 6.77966
44 5XXS COA 6.81818
45 1K0D GSH 7.18563
46 2FAR DTP 7.44337
47 1SQL GUN 7.53425
48 2AKO ADP 7.56972
49 1NME 159 7.6087
50 2F2H XTG 7.78443
51 1TW4 CHD 8
52 2UZ1 TPP 8.08383
53 3NNT DQA 9.78261
54 1VAY AZA 10.1045
55 2IDO TMP 10.8434
56 1LNX URI 11.1111
57 2XSB GDL 11.976
58 2JFQ DGL 12.2378
59 1VPE ANP 12.2754
60 3KIF GDL 13.2075
61 3WCS MAN NAG GAL 14.1732
62 2JHP SAH 14.9701
63 1APZ ASP 16.0494
64 5LPG 71V 16.4634
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