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Receptor
PDB id Resolution Class Description Source Keywords
3M3E 2.1 Å EC: 3.1.21.- CRYSTAL STRUCTURE OF AGROCYBE AEGERITA LECTIN AAL MUTANT E66 COMPLEXED WITH P-NITROPHENYL THOMSEN-FRIEDENREICH DISACCHAR AGROCYBE AEGERITA GALECTIN AAL MUTANT THOMSEN-FRIEDENREICH DISACCHARIDE APHYDROLASE LECTIN NUCLEASE GAL-BETA-1 3-GALNAC-ALPHA-O-PNITROPHENYL
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION MECHANISM AN ANTITUMOR GALECTIN AAL AND THE THOMSEN-FRIEDENRE ANTIGEN FASEB J. V. 24 3861 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL A2G NPO A:240;
B:240;
C:240;
D:240;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 37.45 uM
506.461 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M3E 2.1 Å EC: 3.1.21.- CRYSTAL STRUCTURE OF AGROCYBE AEGERITA LECTIN AAL MUTANT E66 COMPLEXED WITH P-NITROPHENYL THOMSEN-FRIEDENREICH DISACCHAR AGROCYBE AEGERITA GALECTIN AAL MUTANT THOMSEN-FRIEDENREICH DISACCHARIDE APHYDROLASE LECTIN NUCLEASE GAL-BETA-1 3-GALNAC-ALPHA-O-PNITROPHENYL
Ref.: STRUCTURAL INSIGHTS INTO THE RECOGNITION MECHANISM AN ANTITUMOR GALECTIN AAL AND THE THOMSEN-FRIEDENRE ANTIGEN FASEB J. V. 24 3861 2010
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
9 3WG4 - A2G GAL NAG FUC n/a n/a
10 3WG3 - A2G GAL NAG FUC n/a n/a
11 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
12 1WW4 - GLA GLC SIA n/a n/a
13 1WW6 - GAL BGC n/a n/a
14 1WW5 - SGA BGC n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZGN - GAL C6 H12 O6 C([C@@H]1[....
2 3M3O Kd = 250.63 uM GAL A2G NPO n/a n/a
3 3M3E Kd = 37.45 uM GAL A2G NPO n/a n/a
4 3M3Q - GAL NGA GAL BGC SIA n/a n/a
5 3AFK Kd = 251.89 uM GAL A2G THR n/a n/a
6 3M3C Kd = 86.21 uM GAL A2G NPO n/a n/a
7 2ZGM - LAT C12 H22 O11 C([C@@H]1[....
8 2ZGO - LAT C12 H22 O11 C([C@@H]1[....
9 3WG4 - A2G GAL NAG FUC n/a n/a
10 3WG3 - A2G GAL NAG FUC n/a n/a
11 3WG1 - LAT C12 H22 O11 C([C@@H]1[....
12 1WW4 - GLA GLC SIA n/a n/a
13 1WW6 - GAL BGC n/a n/a
14 1WW5 - SGA BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL A2G NPO; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 NPO A2G GAL 1 1
2 GAL A2G NPO 1 1
3 LEC NGA 0.782051 0.984375
4 LEC 0.68 0.968254
5 6ZC 0.68 0.968254
6 CG3 A2G GAL 0.654762 0.984375
7 NPJ 0.6 0.84127
8 6Y2 0.597701 0.984375
9 GAL MGC 0.594595 0.692308
10 RCB 0.585366 0.84127
11 PNW 0.575342 0.809524
12 MBE 0.575342 0.809524
13 PNA 0.575342 0.809524
14 147 0.575342 0.809524
15 PNG 0.575342 0.809524
16 GAL NPO 0.575342 0.809524
17 NBZ GLA 0.575342 0.809524
18 KHP 0.534247 0.753846
19 GAL A2G MBN 0.528736 0.746032
20 GAL NGA 0.512821 0.714286
21 GAL A2G 0.512821 0.714286
22 A2G GAL 0.512821 0.714286
23 GAL TNR 0.511628 0.727273
24 A2G SER GAL 0.511628 0.727273
25 NGA SER GAL 0.511628 0.727273
26 GAL SER A2G 0.511628 0.727273
27 GAL A2G THR 0.5 0.753846
28 NDG BDP BDP NPO NDG 0.490566 0.984375
29 NGB 0.488372 0.84127
30 LAM 0.479592 0.80303
31 PNJ 0.475 0.859375
32 GAL NAG GAL GLC 0.472527 0.714286
33 BGC GAL NAG GAL 0.472527 0.714286
34 8VZ 0.45679 0.723077
35 GAL NGA GLA BGC GAL 0.452632 0.714286
36 GAA 0.451219 0.825397
37 NSQ 0.445783 0.641026
38 NLC 0.439024 0.714286
39 NDG GAL 0.439024 0.714286
40 GAL NDG 0.439024 0.714286
41 MAG FUC GAL 0.433333 0.707692
42 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.432692 0.738462
43 MAN BMA NAG 0.426966 0.714286
44 GLA GAL NAG 0.426966 0.714286
45 GAL LOG 0.425287 0.80303
46 GAL NAG GAL 0.414894 0.692308
47 DCB 0.412371 0.811594
48 GNS BDP GNS BDP GNS BDP NPO 0.410714 0.779221
49 NAG A2G GAL 0.410526 0.734375
50 C3G 0.409639 0.730159
51 1GN ACY GAL ACY 1GN BGC GAL BGC 0.407767 0.734375
52 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.407767 0.734375
53 NAG BMA 0.406977 0.656716
54 GAL NGA GAL SIA 0.405172 0.731343
55 GAL NOK 0.404494 0.647887
56 GAL NAG MAN 0.402174 0.714286
57 FUC NDG GAL 0.402174 0.703125
58 GAL NDG FUC 0.402174 0.703125
59 THR NGA GAL NAG 0.4 0.753846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3M3E; Ligand: GAL A2G NPO; Similar sites found with APoc: 474
This union binding pocket(no: 1) in the query (biounit: 3m3e.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3NV3 GAL NAG MAN None
2 1QKQ MAN None
3 5DRB 5FJ None
4 2CM4 RCL None
5 5UR6 8KM None
6 5HZ5 65X None
7 2GJ5 VD3 None
8 4HIA FMN None
9 4WN5 MVC None
10 6BYM HC3 None
11 3PFG TLO None
12 3PFG SAM None
13 2Z6C FMN None
14 2HRL SIA GAL SIA BGC NGA CEQ None
15 1FDQ HXA None
16 4P42 PEE None
17 5TPV TYD None
18 6GG9 FMN None
19 1WUB OTP None
20 5F3I 5UJ None
21 1DMY AZM None
22 2FWP ICR None
23 3VZS CAA None
24 3VZS NAP None
25 4JH6 FCN None
26 2V58 LZJ None
27 5UC4 83S None
28 3OCP CMP None
29 2UVO NDG None
30 3LF0 ATP None
31 4NV7 COA 1.24224
32 1QFT HSM 1.24224
33 3OJI PYV 1.24224
34 2J7T 274 1.24224
35 5EYK 5U5 1.24224
36 4C2V YJA 1.24224
37 3A76 SPD 1.24224
38 4C2W ANP 1.24224
39 5T7I LAT NAG GAL 1.29032
40 4PSB GA3 1.29032
41 5HZ9 5M8 1.48148
42 5FPX GLY SER SER HIS HIS HIS HIS HIS 1.76991
43 2WA4 069 1.86335
44 5OX6 A1Z 1.86335
45 5EPQ OLA 1.86335
46 1Y0G 8PP 1.86335
47 5DEY 59T 1.86335
48 5W4W 9WG 1.86335
49 5BU3 4W9 1.86335
50 4YGF AZM 1.86335
51 3B1Q NOS 1.86335
52 6FE1 V14 1.86335
53 1ZM1 BGC BGC BGC 1.86335
54 4KBA 1QM 1.86335
55 6H36 FKE 1.86335
56 5YU3 PRO 1.86335
57 5YU3 NAD 1.86335
58 1DZK PRZ 1.91083
59 5BV6 35G 1.97368
60 5GP0 GPP 2.01342
61 6GNO XDI 2.22222
62 1MDC PLM 2.27273
63 1OGZ EQU 2.4
64 1TT8 PHB 2.48447
65 3ZRM ZRM 2.48447
66 2ZRU FMN 2.48447
67 1CX4 CMP 2.48447
68 2JLD AG1 2.48447
69 5TA6 79D 2.48447
70 3FC2 IBI 2.48447
71 1O9U ADZ 2.48447
72 4X5S AZM 2.48447
73 5BVT PAM 2.98507
74 4J36 FAD 3.10559
75 4J36 1HR 3.10559
76 5VC5 96M 3.10559
77 3WDX BGC BGC GLC 3.10559
78 5F2T PLM 3.10559
79 4RFR RHN 3.10559
80 2Q0D ATP 3.10559
81 3OGV PTQ 3.10559
82 1KOR SIN 3.10559
83 1KOR ANP 3.10559
84 1KOR ARG 3.10559
85 4B1M FRU FRU 3.10559
86 5WX3 COA 3.10559
87 2AGD UDH 3.10559
88 3AGC RCC 3.10559
89 4H69 10Y 3.10559
90 3WDX BGC BGC BGC 3.10559
91 5OJY 9XB 3.10559
92 1Z03 OCH 3.10559
93 4B1L FRU 3.10559
94 3E8T UQ8 3.10559
95 4HK8 XYP XYP XYP XYP XYP XYP 3.10559
96 1N2X SAM 3.10559
97 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 3.10559
98 3MN5 LAB 3.10559
99 4QRH 0O2 3.10559
100 3T50 FMN 3.125
101 3ZO7 K6H 3.19149
102 3PNA CMP 3.24675
103 2OZ5 7XY 3.37838
104 4OFG PCG 3.47222
105 6G9I CXX 3.57143
106 4D5B ACX 3.72671
107 1QIN GIP 3.72671
108 4MP8 NAD 3.72671
109 4MP8 MLI 3.72671
110 5H5A 6OU 3.72671
111 5FXD H7Y 3.72671
112 5EH0 5NW 3.72671
113 1S4M LUM 3.72671
114 4IGQ THR M3L GLN 3.72671
115 4H6Q TFB 3.72671
116 4GJ3 0XP 3.72671
117 1ZY5 ANP 3.72671
118 4CLI 5P8 3.72671
119 1R6W 164 3.72671
120 3H5N ATP 3.72671
121 5JKG 6LF 3.72671
122 4AVB CMP 3.72671
123 1EX7 5GP 3.72671
124 5FKP 6UL 3.72671
125 4EWH T77 3.72671
126 6FXR AKG 3.72671
127 4G7A AZM 3.72671
128 4HSJ 6PC 3.72671
129 4XCB HY0 3.72671
130 4P7X AKG 3.72671
131 4P7X YCP 3.72671
132 3GL0 HXX 3.72671
133 5AYT L6Y 3.77358
134 1GT4 UNA 3.77358
135 5BVS EIC 3.78788
136 3STK PLM 3.78788
137 3QRC SCR 3.82166
138 2HKA C3S 3.84615
139 3TCT 3MI 3.93701
140 2ZMF CMP 4.34783
141 4H2V AMP 4.34783
142 1ZB6 GST 4.34783
143 1ZB6 DIN 4.34783
144 4CQE CQE 4.34783
145 5MZI FYK 4.34783
146 5MZI FAD 4.34783
147 6D61 4AA 4.34783
148 4XV1 904 4.34783
149 4ONA UW1 4.34783
150 3MF2 AMP 4.34783
151 3TYZ XHP 4.34783
152 3TYZ PAB 4.34783
153 5DS8 GLY 5CT GLY ALA 4.34783
154 1NYW DAU 4.34783
155 4H2X G5A 4.34783
156 4AUA 4AU 4.34783
157 5DUB GLY 5GG GLY ALA 4.34783
158 3E8N ATP 4.34783
159 3E8N VRA 4.34783
160 4H2W AMP 4.34783
161 5C3R AKG 4.34783
162 5C3R HMU 4.34783
163 5I8T LAC 4.34783
164 4OCT AKG 4.34783
165 2CET PGI 4.34783
166 5DVI BGC 4.34783
167 3ZJX BOG 4.34783
168 5ZTN CUR 4.34783
169 4H2W 5GP 4.34783
170 3N0Y APC 4.34783
171 1F1V DHY 4.34783
172 2AE2 PTO 4.34783
173 1OFZ FUC 4.34783
174 2NZ2 CIR 4.34783
175 3QP8 HL0 4.34783
176 1I82 BGC BGC 4.34783
177 2ZZV LAC 4.34783
178 3NW7 LGV 4.34783
179 2FCU AKG 4.34783
180 5AMV ADA ADA ADA 4.34783
181 5VCV 1N1 4.34783
182 5TZO 7V7 4.34783
183 2BYC FMN 4.37956
184 1VYF OLA 4.44444
185 3BRN SRO 4.4586
186 6CZI 38E 4.46429
187 1OPB RET 4.47761
188 4QYN RTL 4.51128
189 2QM9 TDZ 4.51613
190 4RYV ZEA 4.51613
191 2HFN FMN 4.57516
192 5D48 L96 4.60526
193 1YRX FMN 4.95868
194 4WOE ADP 4.96894
195 3STD MQ0 4.96894
196 1ODM ASV 4.96894
197 3JU6 ANP 4.96894
198 6E08 NAP 4.96894
199 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 4.96894
200 1MJJ HAL 4.96894
201 2IRY DGT 4.96894
202 4NW6 2NS 4.96894
203 3UH0 TSB 4.96894
204 4WB7 ATP 4.96894
205 2JIG PD2 4.96894
206 4COQ SAN 4.96894
207 1EE0 CAA 4.96894
208 4Q0P 0MK 4.96894
209 3DX5 DHB 4.96894
210 5Z46 8XL 4.96894
211 2A4W BLM 5.07246
212 2FR3 REA 5.10949
213 3O3R NAP 5.37975
214 5DKK FMN 5.51724
215 1U0A BGC BGC BGC BGC 5.59006
216 4IGH FMN 5.59006
217 4IGH ORO 5.59006
218 4IGH 1EA 5.59006
219 5A65 TPP 5.59006
220 3CQD ATP 5.59006
221 3LVW GSH 5.59006
222 4G31 0WH 5.59006
223 3E2M E2M 5.59006
224 4NMC 2OP 5.59006
225 4NMC FAD 5.59006
226 4NFN 2KC 5.59006
227 4P25 FUC GAL NAG FUC 5.59006
228 2WKQ FMN 5.59006
229 6CC0 EWM 5.59006
230 5DQ8 FLF 5.59006
231 1VRP ADP 5.59006
232 1AJ0 PH2 5.59006
233 1AJ0 SAN 5.59006
234 5YJS SAL 5.59006
235 3NVD OAN 5.59006
236 1LNM DTX 5.59006
237 1B09 PC 5.59006
238 4O1P ANP 5.59006
239 3L8W XAN 5.59006
240 4P5Z Q7M 5.59006
241 1U6R ADP 5.59006
242 2ART LPA AMP 5.59006
243 3ZXR P3S 5.59006
244 3ZXR IQ1 5.59006
245 2B8T THM 5.59006
246 3SAO NKN 5.625
247 4MNS 2AX 5.66038
248 1JIF CU BLM 5.7377
249 1M6P M6P 5.92105
250 2WEL K88 6
251 4ZU4 4TG 6.08108
252 6GBV FMN 6.16438
253 4WVO 3UZ 6.21118
254 3RGA LSB 6.21118
255 4YZC STU 6.21118
256 4LOO SB4 6.21118
257 5LRT ADP 6.21118
258 1TIW TFB 6.21118
259 1TIW FAD 6.21118
260 3PQB VGP 6.21118
261 4H6B 10Y 6.21118
262 1SDW IYT 6.21118
263 2BMB PMM 6.21118
264 5FBN 5WF 6.21118
265 5EO8 TFU 6.21118
266 4H6B 10X 6.21118
267 4JD3 PLM 6.21118
268 4JD3 COA 6.21118
269 4D52 GXL 6.21118
270 4D52 GIV 6.21118
271 1ZZ7 S0H 6.21118
272 6CUZ FEV 6.21118
273 5JSP DQY 6.21118
274 5JO1 6LM 6.21118
275 2Y6O 1N1 6.21118
276 1N5S ADL 6.25
277 1KGI T4A 6.29921
278 3E85 BSU 6.32911
279 5JAX 6J7 6.66667
280 4L4J NAG NAG BMA MAN NAG 6.78733
281 1QY1 PRZ 6.8323
282 3QUZ QUV 6.8323
283 1GP6 DH2 6.8323
284 1GP6 QUE 6.8323
285 1GP6 SIN 6.8323
286 2FB3 GTP 6.8323
287 4F4P 0SB 6.8323
288 4OPC FDA 6.8323
289 4OPC PGT 6.8323
290 1OPK P16 6.8323
291 2Y6Q I7T 6.8323
292 1Q79 3AT 6.8323
293 6MPT C30 6.8323
294 5U98 1KX 6.8323
295 5NBW 8SK 6.8323
296 3PUR 2HG 6.8323
297 5HV0 AKG 6.8323
298 3AKK ADP 6.8323
299 4ZSI GLP 6.8323
300 4ITH RCM 6.8323
301 4S1B 2BA 6.8323
302 1VA6 P2S 6.8323
303 5UCD NAP 6.8323
304 3H0L ADP 6.8323
305 2Z5Y HRM 6.8323
306 5ISY NAD 6.8323
307 5F7V GLC GLC GLC GLC 6.8323
308 4ZSI 4R1 6.8323
309 2GVJ DGB 6.8323
310 5IXH OTP 6.8323
311 1ZNY GDP 6.8323
312 5TBM 79A 6.95652
313 5NIU 8YZ 7.03125
314 5HA0 LTD 7.05128
315 3L5R 47X 7.37705
316 4KYS VIB 7.45342
317 5NKB 8ZT 7.45342
318 4WUP 3UF 7.45342
319 3ILR IXD 7.45342
320 3ILR SGN 7.45342
321 4BG4 ADP 7.45342
322 5Y72 DST 7.45342
323 3L9R L9Q 7.45342
324 3L9R L9R 7.45342
325 3KFF ZBT 7.45342
326 3KFF XBT 7.45342
327 3E7O 35F 7.45342
328 3OZ2 OZ2 7.45342
329 4O9S 2RY 7.45342
330 1UU6 BGC BGC BGC BGC 7.45342
331 1YKD CMP 7.45342
332 2GSU AMP 7.45342
333 2PR5 FMN 7.57576
334 2ET1 GLV 8.07453
335 2VFT SOR 8.07453
336 1T27 PCW 8.07453
337 4HWS 1B3 8.07453
338 4RF7 ARG 8.07453
339 3SHR CMP 8.07453
340 1NE6 SP1 8.07453
341 1SNN 5RP 8.07453
342 4AG8 AXI 8.07453
343 5LVP ATP 8.07453
344 2I74 MAN MAN MAN MAN 8.07453
345 4WW8 VD9 8.07453
346 2JEN GLC GLC BGC XYS BGC XYS 8.07453
347 4BVM VCA 8.27068
348 4BVM PLM 8.27068
349 5KJZ PCG 8.66667
350 1UNB AKG 8.69565
351 2XXP DSL 8.69565
352 3OF1 CMP 8.69565
353 1UNB PN1 8.69565
354 5J75 6GQ 8.69565
355 2YNE YNE 8.69565
356 2YNE NHW 8.69565
357 3LAD FAD 8.69565
358 1EWJ BLM 8.73016
359 2V0U FMN 8.90411
360 5EFW FMN 8.96552
361 5DJT FMN 8.96552
362 3VV1 GAL FUC 9.31677
363 4LA7 A1O 9.31677
364 5IXG OTP 9.31677
365 4RFM 3P6 9.31677
366 4IEN GDP 9.31677
367 5KF6 TFB 9.31677
368 5KF6 FAD 9.31677
369 4BCN T9N 9.31677
370 1ST0 GTG 9.31677
371 4TWL ASC 9.31677
372 4K3H 1OM 9.32203
373 5KEW 6SB 9.57447
374 5OO5 UUA 9.67742
375 1OGX EQU 9.92366
376 4BVA T3 9.93789
377 5LIA 6XN 9.93789
378 3M3R BCD 9.93789
379 3TAY MN0 9.93789
380 3EWC MCF 9.93789
381 3B6R ADP 9.93789
382 2QL9 CIT 9.93789
383 2WQN ADP 9.93789
384 3U3U EAH 9.93789
385 5VNF VAL THR SER VAL VAL 9.93789
386 2QRY TPS 9.93789
387 4AZW ATP 9.93789
388 1LFO OLA 10.1562
389 4WVW SLT 10.4167
390 4I4B NAD 10.559
391 5IH9 6BF 10.559
392 2GC0 PAN 10.559
393 4IAW LIZ 10.559
394 3TTI KBI 10.559
395 4A4X JUP 10.559
396 1UMZ BGC BGC XYS BGC XYS GAL 10.559
397 6FA4 D1W 10.9827
398 1J3R 6PG 11.1801
399 4R3U 5AD 11.1801
400 5AIG VPR 11.2
401 4K55 H6P 11.2903
402 4AZP A9M 11.5942
403 2AG4 OLA 11.8012
404 2AG4 LP3 11.8012
405 1ZHX HC3 11.8012
406 5E2N V14 11.8012
407 4GCZ FMN 11.8012
408 3JQ3 ADP 11.8012
409 1D1T NAD 11.8012
410 2Z77 HE7 12.2302
411 4NG2 OHN 12.3894
412 2OBD 2OB 12.4224
413 3FW3 ETS 12.4224
414 3BXO UPP 12.4224
415 4Y24 TD2 12.987
416 6CAY ERG 13.0435
417 5N87 N66 13.0435
418 3WW2 LPK 13.0435
419 3WW2 SF6 13.0435
420 3HMO STU 13.0435
421 5A61 3PO 13.0435
422 3VQ2 LP4 LP5 MYR DAO 13.1944
423 5ENQ 5QE 13.6646
424 3ZXE PGZ 14.2857
425 4QXB OGA 14.7059
426 1EM6 CP4 14.9068
427 1EWF PC1 14.9068
428 3OYW TDG 14.9254
429 1GZW GAL BGC 14.9254
430 4R38 RBF 15
431 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 15.528
432 1W6O LAT 15.6716
433 1W6P NDG GAL 15.6716
434 1W6M GAL 15.6716
435 5CJF 520 16.1491
436 3WUD GLC GAL 16.1765
437 5XQW 8EU 16.7702
438 5EOB 5QQ 17.3913
439 1MH5 HAL 17.3913
440 4ZLU ADP 17.3913
441 4ZLU 4PW 17.3913
442 3I8T LBT 18.0124
443 1REQ DCA 18.0124
444 1GUI BGC BGC BGC BGC BGC BGC 18.0645
445 1C1L GAL BGC 18.9781
446 3BLI ACO 19.8758
447 2D6M LBT 20.1258
448 6FOF LAT 21.118
449 5H9Q TD2 21.2903
450 5GLT BGC GAL NAG GAL 21.7391
451 1F3D TPM 21.7391
452 1IS3 LAT 22.2222
453 1SLT NDG GAL 22.3881
454 5NCF 8T5 23.0089
455 3T4L ZEA 24.2236
456 5NFB 8VT 24.8447
457 5H9P TD2 25.3165
458 3WV6 GAL GLC 25.4658
459 3WV6 GAL BGC 25.4658
460 5DG2 GAL GLC 25.9259
461 6A63 LAT 26.087
462 4YLZ LAT NAG GAL 26.1438
463 2WT2 GAL NAG GAL NAG GAL NAG 26.7081
464 2YMZ LAT 26.9231
465 5XSS XYP 27.3292
466 2ZHL NAG GAL GAL NAG 27.7027
467 3WUC GLC GAL 27.7372
468 5ODY 9SK 28.9855
469 5NLD LBT 29.4964
470 2YG2 S1P 31.677
471 2YG2 FLC 31.677
472 1A78 TDG 35.0746
473 2R0H CTO 47.8261
474 1ULE GLA GAL NAG 48
Pocket No.: 2; Query (leader) PDB : 3M3E; Ligand: GAL A2G NPO; Similar sites found with APoc: 115
This union binding pocket(no: 2) in the query (biounit: 3m3e.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3RET SAL None
2 3RET PYR None
3 5SVV FMN None
4 5C8W PCG None
5 2BOS GLA GAL GLC None
6 1C4Q GLA GAL BGC None
7 4U03 TLL None
8 4U03 GTP None
9 2BOS GLA GAL None
10 4HKP 16B None
11 4NVP 7CH None
12 5NW7 9C2 1.86335
13 1L1Q 9DA 1.86335
14 2QO4 CHD 2.38095
15 2B96 ANN 2.43902
16 2Y3S TIR 2.48447
17 3ENG CBI 2.48447
18 1DQX BMP 2.48447
19 2RG0 CBI 2.48447
20 5M42 FMN 2.48447
21 1OJJ GLC GAL 3.10559
22 2OVW CBI 3.10559
23 3FW4 CAQ 3.10559
24 1OJK GLC BGC 3.10559
25 2AGD NAG MAN BMA 3.10559
26 4RD0 GDP 3.10559
27 2ZYI STE 3.10559
28 3MPB FRU 3.10559
29 4RGA 3PV 3.10559
30 5ML3 DL3 3.3557
31 1GQG DCD 3.72671
32 4QMN DB8 3.72671
33 2FDW D3G 3.72671
34 3UN3 G16 3.72671
35 2VDY HCY 3.72671
36 4OAV ACP 3.72671
37 3P7N FMN 3.72671
38 1SQI 869 3.72671
39 4D1J DGJ 3.72671
40 4IE6 UN9 4.34783
41 1M15 ADP 4.34783
42 1M15 ARG 4.34783
43 3THR C2F 4.34783
44 1OFZ FUL 4.34783
45 5FU3 BGC BGC BGC 4.71698
46 5IQT 6CU 4.96894
47 5IQT AKG 4.96894
48 3EEB IHP 4.96894
49 1EGD FAD 4.96894
50 2XK9 XK9 4.96894
51 4GID 0GH 4.96894
52 6C8R EQV 4.96894
53 2XIQ MLC 4.96894
54 2NYA MGD 4.96894
55 2NNQ T4B 5.34351
56 3EKK GS2 5.59006
57 1K97 CIR 5.59006
58 1K97 ASP 5.59006
59 3SAO DBH 5.625
60 4KU7 PCG 5.88235
61 2IUW AKG 6.21118
62 2BWA GLC BGC 6.21118
63 5MGD GLC GAL GAL 6.21118
64 4U0W 16G 6.21118
65 6F6D AKG 6.21118
66 1J84 BGC BGC BGC BGC 6.21118
67 4A3R CIT 6.8323
68 5W1E PHB 6.8323
69 1VA6 ADP 6.8323
70 2JG1 TA6 6.8323
71 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 6.8323
72 4WNP 3RJ 6.8323
73 3ILR SGN IXD 7.45342
74 1RM6 PCD 7.45342
75 5WYF ILP 7.45342
76 2PTM CMP 7.45342
77 4M82 NGB 7.45342
78 3ACL 3F1 7.45342
79 4OCX MT1 7.45342
80 4QOM PYG 7.45342
81 1S20 NAD 7.45342
82 5ZM4 AKG 8.07453
83 1YKJ FAD 8.07453
84 1YKJ PHB 8.07453
85 3VHE 42Q 8.07453
86 3BJK CIT 8.49673
87 1V3S ATP 8.62069
88 4PIV 2W4 8.69565
89 5OCG 9R5 8.69565
90 4PFC 2QX 8.69565
91 5YVT NAI 8.69565
92 4WUJ FMN 8.84354
93 5DJU FMN 8.96552
94 2XMY CDK 9.31677
95 6GW1 CHO 9.31677
96 2YIP YIO 9.42029
97 4X6F 3XU 9.93789
98 3T1A 5MA 9.93789
99 4M1U A2G MBG 9.93789
100 2GDV BGC 9.93789
101 2AXR ABL 9.93789
102 3DLG GWE 10.559
103 5FQK 6NT 11.1524
104 4O8O AHR 11.1801
105 4R3U 3HC 11.1801
106 4R3U 3KK 11.1801
107 2AMV BIN 11.8012
108 3HQR OGA 11.8012
109 1ERB ETR 12.4224
110 4WO4 JLS 12.4224
111 5EZU MYR 13.4831
112 2PRG BRL 13.6646
113 1G8K MGD 23.6025
114 6E2B PT7 25
115 5H2D ERG 26.087
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