-->
Receptor
PDB id Resolution Class Description Source Keywords
3E2M 2 Å NON-ENZYME: IMMUNE LFA-1 I DOMAIN BOUND TO INHIBITORS HOMO SAPIENS INTEGRIN I-DOMAIN LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1 ALTERNATIVE SPLICING CALCIUM CELL ADHESION GLYCOPROTEINMAGNESIUM MEMBRANE POLYMORPHISM RECEPTOR TRANSMEMBRANE
Ref.: STRUCTURE-ACTIVITY RELATIONSHIP OF ORTHO- AND META-PHENOL BASED LFA-1 ICAM INHIBITORS BIOORG.MED.CHEM.LETT. V. 18 5245 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
E2M A:1;
B:1;
Valid;
Valid;
none;
none;
ic50 = 0.4 nM
617.6 C29 H29 F6 N O5 S c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E2M 2 Å NON-ENZYME: IMMUNE LFA-1 I DOMAIN BOUND TO INHIBITORS HOMO SAPIENS INTEGRIN I-DOMAIN LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1 ALTERNATIVE SPLICING CALCIUM CELL ADHESION GLYCOPROTEINMAGNESIUM MEMBRANE POLYMORPHISM RECEPTOR TRANSMEMBRANE
Ref.: STRUCTURE-ACTIVITY RELATIONSHIP OF ORTHO- AND META-PHENOL BASED LFA-1 ICAM INHIBITORS BIOORG.MED.CHEM.LETT. V. 18 5245 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 1XDD ic50 = 0.2 uM AAY C37 H49 N O6 CC[C@H](C)....
2 3F78 - ICF C3 H2 Cl F5 O [C@H](C(F)....
3 1XUO ic50 = 69 nM LA1 C33 H36 N4 O3 CC(C)C[C@H....
4 3M6F - BJZ C26 H19 Cl2 N5 O4 CN1C(=O)N(....
5 1RD4 Kd = 18.3 nM L08 C25 H26 N4 O4 S CCOc1ccccc....
6 1XDG ic50 = 0.05 uM AB8 C34 H48 N2 O7 CC[C@H](C)....
7 2O7N ic50 = 15 nM 2O7 C22 H15 Cl2 N3 O c1cc(ccc1C....
8 3E2M ic50 = 0.4 nM E2M C29 H29 F6 N O5 S c1ccc(c(c1....
9 3BQM Ki = 2 nM BQM C21 H18 F6 N2 O2 S c1cc(cc(c1....
10 2ICA ic50 = 20 nM 2IC C26 H20 Cl2 N4 O4 S CN1C(=O)N(....
11 3BQN ic50 = 2.5 nM BQN C27 H22 F6 N2 O3 S c1ccc(c(c1....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1XDD ic50 = 0.2 uM AAY C37 H49 N O6 CC[C@H](C)....
2 3F78 - ICF C3 H2 Cl F5 O [C@H](C(F)....
3 1XUO ic50 = 69 nM LA1 C33 H36 N4 O3 CC(C)C[C@H....
4 3M6F - BJZ C26 H19 Cl2 N5 O4 CN1C(=O)N(....
5 1RD4 Kd = 18.3 nM L08 C25 H26 N4 O4 S CCOc1ccccc....
6 1XDG ic50 = 0.05 uM AB8 C34 H48 N2 O7 CC[C@H](C)....
7 2O7N ic50 = 15 nM 2O7 C22 H15 Cl2 N3 O c1cc(ccc1C....
8 3E2M ic50 = 0.4 nM E2M C29 H29 F6 N O5 S c1ccc(c(c1....
9 3BQM Ki = 2 nM BQM C21 H18 F6 N2 O2 S c1cc(cc(c1....
10 2ICA ic50 = 20 nM 2IC C26 H20 Cl2 N4 O4 S CN1C(=O)N(....
11 3BQN ic50 = 2.5 nM BQN C27 H22 F6 N2 O3 S c1ccc(c(c1....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1XDD ic50 = 0.2 uM AAY C37 H49 N O6 CC[C@H](C)....
2 3F78 - ICF C3 H2 Cl F5 O [C@H](C(F)....
3 1XUO ic50 = 69 nM LA1 C33 H36 N4 O3 CC(C)C[C@H....
4 3M6F - BJZ C26 H19 Cl2 N5 O4 CN1C(=O)N(....
5 1RD4 Kd = 18.3 nM L08 C25 H26 N4 O4 S CCOc1ccccc....
6 1XDG ic50 = 0.05 uM AB8 C34 H48 N2 O7 CC[C@H](C)....
7 2O7N ic50 = 15 nM 2O7 C22 H15 Cl2 N3 O c1cc(ccc1C....
8 3E2M ic50 = 0.4 nM E2M C29 H29 F6 N O5 S c1ccc(c(c1....
9 3BQM Ki = 2 nM BQM C21 H18 F6 N2 O2 S c1cc(cc(c1....
10 2ICA ic50 = 20 nM 2IC C26 H20 Cl2 N4 O4 S CN1C(=O)N(....
11 3BQN ic50 = 2.5 nM BQN C27 H22 F6 N2 O3 S c1ccc(c(c1....
12 4XW2 - SIM C25 H40 O6 CCC(C)(C)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: E2M; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 E2M 1 1
2 BQN 0.669903 0.878788
3 BQM 0.514563 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E2M; Ligand: E2M; Similar sites found with APoc: 306
This union binding pocket(no: 1) in the query (biounit: 3e2m.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1ULE GLA GAL NAG None
2 4OCT AKG None
3 5T7I LAT NAG GAL None
4 1N5S ADL None
5 1SLT NDG GAL None
6 1GU3 BGC BGC BGC BGC BGC None
7 1OGZ EQU None
8 1J3R 6PG None
9 1LRH NLA None
10 3STK PLM None
11 6B79 ORA None
12 3RF4 FUN None
13 5I0U DCY None
14 5FPX GLY SER SER HIS HIS HIS HIS HIS None
15 2BOS GLA GAL None
16 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
17 2YG2 S1P None
18 5HA0 LTD None
19 4V2O CLQ None
20 5GP0 GPP None
21 3BRN SRO None
22 2GC0 PAN None
23 2Z6D FMN None
24 6E2B PT7 None
25 2HKA C3S None
26 2IUW AKG 1.08108
27 3VV1 GAL FUC 1.25
28 4WUJ FMN 1.36054
29 3QXV MTX 1.5873
30 3RGA LSB 1.62162
31 4MPO AMP 1.96078
32 5K21 6QF 2.12766
33 5O9W AKG 2.16216
34 5NBP BGC BGC BGC 2.16216
35 2OJW ADP 2.16216
36 3HX3 RET 2.16216
37 5EO8 TFU 2.16216
38 5I8T LAC 2.23464
39 5OO5 UUA 2.41935
40 4RYV ZEA 2.58065
41 3MTX PGT 2.64901
42 5KJW 53C 2.7027
43 5HV0 AKG 2.7027
44 2XK9 XK9 2.7027
45 2YFO GAL 2.7027
46 2YFO GLA 2.7027
47 4H69 10Y 2.7027
48 2XN2 GLA 2.7027
49 5FYR INS 2.7027
50 3ITA AIC 2.7027
51 3W68 VIV 2.7027
52 4J7Q B7N 2.7027
53 4ITH RCM 2.7027
54 3NV3 GAL NAG MAN 2.89855
55 1GT4 UNA 3.14465
56 1KGI T4A 3.14961
57 1F9V ADP 3.24324
58 2G30 ALA ALA PHE 3.24324
59 6D61 4AA 3.24324
60 5G48 1FL 3.24324
61 4D52 GIV 3.24324
62 1ZZ7 S0H 3.24324
63 5LOF 70R 3.24324
64 2GQR ADP 3.24324
65 2GQS C2R 3.24324
66 4J25 OGA 3.24324
67 3PUA OGA 3.24324
68 2GQS ADP 3.24324
69 1F5F DHT 3.24324
70 2ET1 GLV 3.24324
71 2PNC CLU 3.24324
72 2VCN ISZ 3.24324
73 4C2C ALA ALA ALA 3.24324
74 1NYW DAU 3.24324
75 1T27 PCW 3.24324
76 3K4Z CBI 3.24324
77 4D4U FUC NDG GAL FUC 3.24324
78 4D4U FUC GAL NAG 3.24324
79 4PL9 ADP 3.27869
80 2BS5 BGC GAL FUC 3.33333
81 1NWW HPN 3.3557
82 1KDK DHT 3.38983
83 5HZX 2GE 3.40909
84 4WQ2 3SU 3.46821
85 4WVW SLT 3.47222
86 6GNO XDI 3.7037
87 1NKI PPF 3.7037
88 5KWY C3S 3.7594
89 3W21 AKG 3.78378
90 5FQK 6NT 3.78378
91 4P7X AKG 3.78378
92 4P7X YCP 3.78378
93 2Z3U CRR 3.78378
94 4S1D 41M 3.78378
95 2Y3S TIR 3.78378
96 5JSP DQY 3.78378
97 2WA4 069 3.78378
98 5LUN OGA 3.78378
99 5BVE 4VG 3.78378
100 5NBW 8SK 3.78378
101 2YMZ LAT 3.84615
102 1MT1 AG2 3.84615
103 1I06 TZL 3.88889
104 1QY1 PRZ 4.02299
105 5ML3 DL3 4.02685
106 3CBC DBS 4.0404
107 5V3D FCN 4.13793
108 5KEW 6SB 4.16667
109 5TPU TYD 4.31655
110 4KBA 1QM 4.32432
111 1OFL NGK GCD 4.32432
112 5DYO FLU 4.32432
113 5GLT BGC GAL NAG GAL 4.32432
114 4TWL ASC 4.32432
115 3PG7 PTY 4.32432
116 2WSA 646 4.32432
117 2WSA MYA 4.32432
118 5NEA 8V8 4.32432
119 2IXC TRH 4.32432
120 4JH6 FCN 4.34783
121 2OVD DAO 4.3956
122 4MNS 2AX 4.40252
123 3TL1 JRO 4.40252
124 5DG2 GAL GLC 4.44444
125 4Y24 TD2 4.54545
126 5HWV MBN 4.61538
127 4ZSI 4R1 4.67836
128 4ZSI GLP 4.67836
129 2F01 BTQ 4.72441
130 2F01 BTN 4.72441
131 5IJJ I6P 4.86486
132 3CF6 SP1 4.86486
133 2VL1 GLY GLY 4.86486
134 4IAW LIZ 4.86486
135 5X7Q GLC GLC GLC GLC 4.86486
136 2DE4 BPS 4.86486
137 5OES ADP 4.86486
138 3ZJX BOG 4.86486
139 2AG4 LP3 4.87805
140 2AG4 OLA 4.87805
141 3KFF XBT 4.93827
142 3KFF ZBT 4.93827
143 3WG3 A2G GAL NAG FUC 5.05618
144 3FW4 CAQ 5.05618
145 1A78 TDG 5.22388
146 3OYW TDG 5.22388
147 4D06 NAR 5.40541
148 3JU6 ANP 5.40541
149 1NP0 NGT 5.40541
150 1ZY5 ANP 5.40541
151 5C5T AKG 5.40541
152 2AZ3 CDP 5.4878
153 3TCT 3MI 5.51181
154 2GJ5 VD3 5.55556
155 3M3E GAL A2G NPO 5.59006
156 1WW5 SGA BGC 5.625
157 1Y2F WAI 5.7554
158 5NLD LBT 5.7554
159 3WUD GLC GAL 5.88235
160 2VWA PTY 5.94059
161 3NNF AKG 5.94595
162 2VQ5 HBA 5.94595
163 3WV6 GAL BGC 5.94595
164 3HQP OXL 5.94595
165 1I7E IBS 5.94595
166 4COQ SAN 5.94595
167 2G50 PYR 5.94595
168 5DRB 5FJ 5.94595
169 3WV6 GAL GLC 5.94595
170 5FWE OGA 5.94595
171 3LVW GSH 5.94595
172 5LY2 OGA 5.94595
173 2Q8E OGA 5.94595
174 3O2K DST 5.94595
175 2YBP 2HG 5.94595
176 4YUS FMN 5.94595
177 2ZHL NAG GAL GAL NAG 6.08108
178 4IMO PWZ 6.25
179 2D6M LBT 6.28931
180 2FCU AKG 6.48649
181 4BVA T3 6.48649
182 5IVE 6E8 6.48649
183 6MPT C30 6.48649
184 1DGH NDP 6.48649
185 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 6.48649
186 8CAT NDP 6.48649
187 1F52 ADP 6.48649
188 3KV4 OGA 6.48649
189 1C1L GAL BGC 6.56934
190 1UYY BGC BGC 6.87023
191 6GR0 F8W 6.89655
192 3E85 BSU 6.96203
193 5YJS SAL 7.02703
194 2A9W GA9 7.02703
195 2OBD 2OB 7.02703
196 2BYC FMN 7.29927
197 5FU3 BGC BGC BGC 7.54717
198 5M37 9SZ 7.56757
199 4FE2 AIR 7.56757
200 3FW9 SLX 7.56757
201 3QSB 743 7.56757
202 6FOF LAT 7.56757
203 4XDA RIB 7.56757
204 5GM5 CBI 7.56757
205 4N14 WR7 7.56757
206 5B09 4MX 7.69231
207 5NFB 8VT 7.95455
208 3ZW2 GAL FUC 8.04598
209 3ZW2 NAG GAL FUC 8.04598
210 4WOE ADP 8.10811
211 2JIG PD2 8.10811
212 2A19 ANP 8.10811
213 5DQ8 FLF 8.10811
214 5WS9 OXL 8.10811
215 1Y7P RIP 8.10811
216 6GVD FDK 8.10811
217 1IS3 LAT 8.14815
218 1GQG DCD 8.28571
219 5FUI APY 8.33333
220 3A6T 8OG 8.52713
221 4XCB AKG 8.64865
222 1OFZ FUC 8.64865
223 6F5U CQN 8.64865
224 2XMY CDK 8.64865
225 5OSW DIU 8.64865
226 5J75 6GQ 8.64865
227 6EWZ APC 8.64865
228 3GFZ FMN 8.64865
229 4GCZ FMN 8.64865
230 5BU3 4W9 8.69565
231 4K55 H6P 8.87097
232 2P7Q GG6 9.02256
233 5H9Q TD2 9.03226
234 6F6D AKG 9.18919
235 4RF7 ARG 9.18919
236 5UQD AKG 9.18919
237 1LSH PLD 9.18919
238 2R5V HHH 9.18919
239 3QRC SCR 9.55414
240 1AUA BOG 9.72973
241 4IGQ OGA 9.72973
242 5EW9 5VC 9.72973
243 2E5A LAQ 9.72973
244 1O9U ADZ 9.72973
245 2HZQ STR 9.77011
246 3KO0 TFP 9.90099
247 1OGX EQU 9.92366
248 5ODY 9SK 10.1449
249 6GMR F4K 10.1695
250 5INJ 6C7 10.2703
251 5INJ TRP 10.2703
252 3IWD M2T 10.2941
253 5AIG VPR 10.4
254 3ZXE PGZ 10.5263
255 3NZ1 3NY 10.8108
256 6FXR AKG 10.8108
257 4B0T ADP 10.8108
258 3GXO MQA 10.8108
259 5N6N SUC 10.8108
260 4YLZ LAT NAG GAL 11.1111
261 4M1U A2G MBG 11.3514
262 5W75 SUC 11.3514
263 5OCG 9R5 11.3514
264 2QL9 CIT 11.5607
265 4QM9 CYS 11.5607
266 1OUK 084 11.8919
267 6FBZ MGP 11.8919
268 4JGP PYR 11.8919
269 6FA4 D1W 12.1387
270 4XCP PLM 12.9412
271 3AVR OGA 12.973
272 2D5X L35 13.0137
273 3SAO NKN 13.125
274 3SAO DBH 13.125
275 5T8U LPA 13.5135
276 4MLO PAM 13.5135
277 4XZ3 ACP 13.5135
278 2AGC DAO 13.5802
279 3WUC GLC GAL 13.8686
280 3B6R ADP 14.0541
281 1ELI PYC 14.5946
282 2XXP DSL 14.5946
283 1DZK PRZ 14.6497
284 5L2R MLA 15.1351
285 3Q8G PEE 15.1351
286 4KYS VIB 15.6757
287 1S5O 152 16.2162
288 2A1L PCW 16.2162
289 3VQ2 LP4 LP5 MYR DAO 16.6667
290 5ACM MBT 17.1171
291 4OPC PGT 17.8378
292 4OPC FDA 17.8378
293 4ZU5 THM 18.0556
294 1SDW IYT 18.3784
295 1RQH PYR 18.3784
296 1QIN GIP 18.5792
297 4B7H NDP 18.9189
298 5BVB DOG 18.9394
299 5TPV TYD 19.6078
300 5LJB RTL 20
301 4RD0 GDP 20
302 1MDC PLM 20.4545
303 3ZGJ RMN 21.0811
304 2IYG FMN 21.7742
305 4ZU4 4TG 22.973
306 3H0L ADP 24.4681
Pocket No.: 2; Query (leader) PDB : 3E2M; Ligand: E2M; Similar sites found with APoc: 176
This union binding pocket(no: 2) in the query (biounit: 3e2m.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 4F4S EFO None
2 5Y02 HBX None
3 4CM9 YGL None
4 2NPA MMB None
5 4LWU 20U None
6 5F6U 5VK None
7 6CS9 PIO None
8 3ET1 ET1 None
9 4NPL AKG None
10 5SVV FMN None
11 4INB 1F6 None
12 2HFN FMN None
13 1K7L 544 None
14 3GM5 CIT None
15 3SP6 IL2 None
16 2YG2 FLC None
17 4U0W 16G 1.08108
18 2I6A 5I5 1.62162
19 2QLX RM4 1.85185
20 5XJ7 87O 2.16216
21 5NTP 98E 2.16216
22 5V3Y 5V8 2.16216
23 4G86 BNT 2.16216
24 1I82 BGC BGC 2.16216
25 5L9V OGA 2.16216
26 5L9B AKG 2.16216
27 4QYN RTL 2.25564
28 6BYF CIT 2.35294
29 4S15 4D8 2.7027
30 1NF8 BOG 2.7027
31 2Z5Y HRM 2.7027
32 1B4N GUA 2.7027
33 3W54 RNB 2.7027
34 6FS0 E4W 2.7027
35 3LXI CAM 2.7027
36 5URY PAM 2.73973
37 1XVB BHL BHL 2.94118
38 5J32 IPM 2.97767
39 2WOR 2AN 3
40 5LN8 GAL 3.05344
41 1NU4 MLA 3.09278
42 3T50 FMN 3.125
43 4FFG LBS 3.24324
44 1YKD CMP 3.24324
45 4BXF AKG 3.24324
46 4D4U FUC GAL NDG FUC 3.24324
47 4H6B 10Y 3.24324
48 5H2U 1N1 3.24324
49 2PZI AXX 3.24324
50 1ODM ASV 3.24324
51 6F7X MFU 3.33333
52 4EKV BTN 3.77358
53 6CB2 OLC 3.78378
54 3OPT AKG 3.78378
55 4OJ8 AKG 3.78378
56 6BR8 PGV 3.78378
57 1SGJ OAA 3.78378
58 6BR8 6OU 3.78378
59 1OI6 TMP 3.78378
60 4XAC AKG 3.78378
61 1VRP ADP 3.78378
62 5ZQ4 AMP 3.78378
63 3KYQ DPV 3.78378
64 5F2T PLM 3.78378
65 2PR5 FMN 3.78788
66 4MA6 28E 3.82166
67 4G7A AZM 4.03226
68 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.08163
69 2BHW NEX 4.32432
70 3B9Z CO2 4.32432
71 3IX9 MTX 4.32432
72 4QCK ASD 4.32432
73 2HHP FLC 4.32432
74 4DOO DAO 4.32432
75 1OLM VTQ 4.32432
76 1XMY ROL 4.32432
77 1SBR VIB 4.32432
78 4OMJ 2TX 4.32432
79 5AZC PGT 4.32432
80 2UXI G50 4.32432
81 1SU2 ATP 4.40252
82 4CPH LH4 4.72441
83 5X7Q GLC GLC GLC GLC GLC 4.86486
84 3B00 16A 4.86486
85 1N4H REA 4.86486
86 5MRH Q9Z 4.86486
87 3KFC 61X 4.86486
88 5C3R AKG 4.86486
89 5C3R HMU 4.86486
90 2RDQ AKG 4.86486
91 1DTL BEP 4.96894
92 3EW2 BTN 5.18518
93 4TXE 38F 5.40541
94 2BWA GLC BGC 5.40541
95 3RWP ABQ 5.40541
96 1DMY AZM 5.40541
97 1Q23 FUA 5.40541
98 3KYF 5GP 5GP 5.40541
99 5VAD PRO 5.40541
100 1Y0G 8PP 5.40541
101 6GBV FMN 5.47945
102 1Y52 BTN 5.55556
103 2VFT SOR 5.94595
104 2OS2 OGA 5.94595
105 6B9T 2HE 5.94595
106 4MOB ADP 5.94595
107 6H8S FSZ 6.48649
108 3JQ3 ADP 6.48649
109 1OIJ AKG 6.48649
110 6FYV 3NG 6.48649
111 3PQB VGP 6.48649
112 1HBK COA 6.74157
113 5LX9 OLB 7.02703
114 2J5B TYE 7.02703
115 3B6C SDN 7.02703
116 3QPB URA 7.02703
117 1N9L FMN 7.33945
118 3TDC 0EU 7.56757
119 3OQJ 3CX 7.56757
120 3PLS ANP 7.56757
121 4YVN EBS 7.56757
122 2PIE GLU LEU LYS TPO GLU ARG TYR 7.97101
123 5TFZ 7BC 8
124 5LXB 7A9 8.10811
125 1UNB AKG 8.10811
126 2Z6C FMN 8.52713
127 5KO1 6UY 8.64865
128 4OIV XX9 9.18919
129 2Z77 HE7 9.35252
130 5L8L ADP 9.72973
131 4YSX E23 9.72973
132 4M69 ANP 9.72973
133 2YC5 6BC 9.72973
134 5MWE TCE 10
135 4QDF 30Q 10.2703
136 3IHB GLU 10.2703
137 1A5Z FBP 10.2703
138 4URG C2E 10.2703
139 2WEL K88 10.2703
140 5CXI 5TW 10.2703
141 3EYK EYK 10.4651
142 3QP8 HL0 10.8696
143 4B9K TG0 11.5385
144 2BCG GER 11.8919
145 2RDE C2E 11.8919
146 3G58 988 12.4324
147 3VMG 9CA 13.0435
148 2UW1 GVM 13.5135
149 1TO9 HMH 13.5135
150 4OB6 S2T 13.5135
151 3PUR 2HG 14.0541
152 4O1P ANP 14.0541
153 3C8F MT2 14.0541
154 5AHS COA 14.5946
155 4EKQ NPO 15.1351
156 2GOO NDG 15.2672
157 4YRI 4JH 16.2162
158 3UKR CKH 17.4157
159 4OGQ 7PH 17.6471
160 2P4Y C03 17.8378
161 3ET3 ET1 17.8378
162 3T03 3T0 17.8378
163 3FUR Z12 17.8378
164 4HEE 14R 17.8378
165 2PRG BRL 17.8378
166 4MZU TYD 18.3784
167 6GN6 GLC 18.3784
168 1RV1 IMZ 21.1765
169 3ALN ANP 21.6216
170 4OAS 2SW 21.875
171 2Y69 CHD 22.093
172 5W97 CHD 22.3529
173 5Z84 CHD 22.3529
174 5ZCO CHD 22.3529
175 4OAV ACP 23.7838
176 1YRX FMN 26.4463
Pocket No.: 3; Query (leader) PDB : 3E2M; Ligand: E2M; Similar sites found with APoc: 36
This union binding pocket(no: 3) in the query (biounit: 3e2m.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
1 1LFO OLA None
2 3ZO7 K6H None
3 3P7N FMN None
4 4YGF AZM 1.08108
5 4RFR RHN 1.62162
6 5H9Y BGC BGC BGC BGC 2.16216
7 3OGN 3OG 2.41935
8 1XVB 3BR 2.94118
9 5OKG BG6 3.24324
10 3FW3 ETS 3.24324
11 1C9K 5GP 3.33333
12 2CM4 RCL 3.33333
13 4HSJ 6PC 3.44828
14 6F9G PUT 3.78378
15 1KYA XYD 4.32432
16 5MOB A8S 4.32432
17 4BJ8 BTN 4.7619
18 3T4L ZEA 4.86486
19 5XEG AKG 5.40541
20 3CMJ SRT 5.94595
21 5MBC FMN 7.02703
22 4Q5H ANP 7.05128
23 3ZW2 GLA NAG GAL FUC 8.04598
24 5D9G GLU ASN LEU TYR PHE GLN 8.64865
25 4XCB HY0 8.64865
26 3AJH BL3 9.18919
27 3AMN CBI 9.18919
28 3AMN CBK 9.18919
29 3KV5 OGA 12.4324
30 4R38 RBF 12.8571
31 6FUL E7Z 12.973
32 3N9O OGA 14.0541
33 3N9Q OGA 14.0541
34 3N9P OGA 14.0541
35 4LIT AKG 15.1351
36 5TWO 7MV 17.8378
Pocket No.: 4; Query (leader) PDB : 3E2M; Ligand: E2M; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 3e2m.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 5Y02 MXN None
3 3Q8U ADP None
4 2QX0 PH2 1.25786
5 1Y9Q MED 2.16216
6 6AC9 ANP 3.24324
7 3X01 AMP 3.24324
8 3BJC WAN 3.78378
9 4GLW 0XT 3.78378
10 4LO6 SIA GAL 4.32432
11 4DXJ 0M9 4.32432
12 1I7A PHE 4.5045
13 2R0H CTO 4.87805
14 5U9J GER 5.32544
15 5L6G XYP 5.40541
16 3L5R 47X 5.7377
17 1HQS CIT 5.94595
18 1BHX ASP PHE GLU GLU ILE 6.12245
19 2VO4 4NM 7.56757
20 5HCY 60D 7.56757
21 1NOW IFG 8.10811
22 1UNB PN1 8.10811
23 5C1M CLR 9.6
24 6FBA D48 9.72973
25 5N0L ILE 13.2075
26 3UG4 AHR 27.5676
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