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Receptor
PDB id Resolution Class Description Source Keywords
3FS1 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HNF4A LBD IN COMPLEX WITH THE LIGAND AN COACTIVATOR PGC-1A FRAGMENT HOMO SAPIENS NUCLEAR RECEPTOR COACTIVATOR LXXLL MOTIF MODY DIABETES ALTERNATIVE PROMOTER USAGE ALTERNATIVE SPLICING DIABETES DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANREGULATION ZINC ZINC-FINGER
Ref.: MULTIPLE BINDING MODES BETWEEN HNF4ALPHA AND THE LX MOTIFS OF PGC-1ALPHA LEAD TO FULL ACTIVATION J.BIOL.CHEM. V. 284 35165 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ALA LEU ALA ALA LEU LEU ALA ALA B:8;
Valid;
none;
submit data
783.969 n/a O=C([...
MYR A:500;
Valid;
none;
submit data
228.371 C14 H28 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FS1 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HNF4A LBD IN COMPLEX WITH THE LIGAND AN COACTIVATOR PGC-1A FRAGMENT HOMO SAPIENS NUCLEAR RECEPTOR COACTIVATOR LXXLL MOTIF MODY DIABETES ALTERNATIVE PROMOTER USAGE ALTERNATIVE SPLICING DIABETES DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANREGULATION ZINC ZINC-FINGER
Ref.: MULTIPLE BINDING MODES BETWEEN HNF4ALPHA AND THE LX MOTIFS OF PGC-1ALPHA LEAD TO FULL ACTIVATION J.BIOL.CHEM. V. 284 35165 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3FS1 - MYR C14 H28 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3FS1 - MYR C14 H28 O2 CCCCCCCCCC....
50% Homology Family (85)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3ERT - OHT C26 H29 N O2 CC/C(=C(c1....
2 1YIM ic50 = 1.5 nM CM4 C28 H31 N O4 C[C@@H]1c2....
3 5W9C - OHT C26 H29 N O2 CC/C(=C(c1....
4 1XP6 ic50 = 0.4 nM AIU C28 H31 N O4 S C[C@@H]1CN....
5 5FQT ic50 = 160 nM 7QN C23 H27 N O3 Cc1c(ccc2c....
6 4IW6 - 1GU C18 H15 F3 N2 O2 C=CCCn1c(c....
7 5FQV ic50 = 610 nM VQI C23 H27 N O3 Cc1cc2c(cc....
8 4IW8 - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
9 5FQR ic50 = 26 nM QHG C22 H25 N O3 CC(C)CN1CC....
10 2IOG ic50 = 8 nM IOG C33 H39 N3 O3 C[C@H](CCc....
11 1GWQ Kd = 76 nM LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
12 4IVW - 1GJ C21 H15 F3 N2 O2 c1ccc(cc1)....
13 5U2B - 6WV C24 H29 N O C[C@]12CC[....
14 4IUI - 1GQ C18 H17 F3 N2 O2 CCCCn1c2c(....
15 1XQC ic50 = 63 nM AEJ C29 H33 N3 O c1ccc(cc1)....
16 1UOM ic50 = 19 nM PTI C28 H32 N2 O2 c1ccc(cc1)....
17 1XP1 ic50 = 0.5 nM AIH C28 H31 N O4 S C[C@H]1CN(....
18 2QXS - RAL C28 H27 N O4 S c1cc(ccc1c....
19 6CHZ - F3D C31 H36 N4 O2 CC/C(=C(/c....
20 2Q70 Ki = 8.3 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
21 2R6W Ki = 0.44 nM LLB C29 H29 N O4 S CC1CCN(CC1....
22 2QE4 Ki = 0.28 nM JJ3 C20 H22 O4 COCc1cc(cc....
23 5AK2 ic50 = 0.0039 uM 85Z C26 H19 F O5 Cc1cc(ccc1....
24 1XP9 ic50 = 1.3 nM AIJ C27 H29 N O4 S C[C@@H](CO....
25 4IV4 - 1GS C18 H17 F3 N2 O2 CC(C)Cn1c(....
26 5UFW - 86V C29 H31 N O4 C[C@H]1CCN....
27 2IOK ic50 = 1 nM IOK C26 H26 N2 O2 C[C@H](CCc....
28 3OSA - KN3 C19 H17 F3 N2 O2 CC(=CCn1c2....
29 5TN9 - 7EC C31 H32 Br N O6 S c1cc(ccc1C....
30 3UUC - 0D1 C14 H10 Cl2 O2 c1cc(ccc1C....
31 1GWR Kd = 250 nM ASN ALA LEU LEU ARG TYR LEU LEU ASP n/a n/a
32 4PP6 - LYS ILE LEU HIS ARG LEU LEU GLN ASP n/a n/a
33 2OUZ - C3D C28 H31 N O2 c1ccc(cc1)....
34 3OS9 - KN1 C17 H13 F3 N2 O2 C=CCn1c2c(....
35 1XPC ic50 = 1.7 nM AIT C27 H29 N O4 S C[C@H](COc....
36 2R6Y Ki = 0.32 nM LLC C27 H25 N O4 S c1cc(ccc1c....
37 4IU7 - 1GM C16 H13 F3 N2 O2 CCn1c(c2cc....
38 2POG Ki = 0.29 nM WST C18 H18 O3 c1cc(c2c(c....
39 5TNB - 7EB C28 H28 Br N O6 S CN(C)CCOc1....
40 1SJ0 ic50 = 0.8 nM E4D C27 H29 N O4 S c1cc(ccc1[....
41 5T92 ic50 = 16 nM 77W C25 H22 F N O3 C[C@]1(c2c....
42 5W9D - 9XY C25 H27 N O2 CC/C(=C(c1....
43 3DT3 - 369 C23 H18 O4 Cc1cc2cc(c....
44 5AAU ic50 = 13.8 uM XBR C20 H19 Cl N2 O2 c1ccc2c(c1....
45 5UFX - 86Y C29 H31 N O4 C[C@@H]1CC....
46 4IV2 - 1GR C18 H17 F3 N2 O2 CC(C)Cn1c2....
47 4IWC - 1GV C18 H16 O2 S Cc1cc(ccc1....
48 5FQP ic50 = 19 nM GQD C23 H27 N O3 C[C@@H]1Cc....
49 1YIN ic50 = 1.4 nM CM3 C29 H32 F N O4 C[C@@H]1c2....
50 4IVY - 1GT C18 H15 F3 N2 O2 C=CCCn1c2c....
51 2AYR Ki = 0.52 nM L4G C30 H31 N O5 S CS(=O)(=O)....
52 4IWF - 15Q C13 H9 Cl F N O3 c1cc(c(cc1....
53 5FQS ic50 = 44 nM J0W C23 H27 N O3 CC(C)CN1CC....
54 1QKT Kd = 0.92 nM EST C18 H24 O2 C[C@]12CC[....
55 5ACC ic50 = 0.676 nM KE9 C25 H25 F3 N2 O2 C[C@@H]1Cc....
56 1G5Y - REA C20 H28 O2 CC1=C(C(CC....
57 3PCU - LX8 C21 H24 O5 CC(=O)OC(C....
58 5MKJ - 4CU C21 H22 O4 CCCOc1ccc(....
59 1FBY Kd = 1.5 nM REA C20 H28 O2 CC1=C(C(CC....
60 4N5G ic50 = 14.5 uM K09 C23 H23 F N4 CC1=C(c2cc....
61 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
62 1G2N - EPH C39 H68 N O8 P CCCC=CCC=C....
63 2PJL ic50 = 190 nM 047 C23 H28 N2 Cc1ccc(cc1....
64 2JJ3 Kd = 0.281 uM JJ3 C20 H22 O4 COCc1cc(cc....
65 2Z4B Ki = 0.44 nM DC8 C18 H16 F2 O3 c1cc(ccc1[....
66 5TOA - EST C18 H24 O2 C[C@]12CC[....
67 1QKM - GEN C15 H10 O5 c1cc(ccc1C....
68 2GIU ic50 = 1.5 nM FBR C17 H19 Br O2 CCCC[C@@]1....
69 1QKN - RAL C28 H27 N O4 S c1cc(ccc1c....
70 1U9E ic50 = 5.7 nM 397 C14 H10 O3 c1cc(ccc1c....
71 1U3Q ic50 = 3.5 nM 272 C13 H9 N O4 c1cc2c(cc1....
72 2I0G Ki = 0.19 nM I0G C18 H18 O3 c1cc(ccc1[....
73 1HJ1 - PMB C6 H5 Hg O3 S c1cc(ccc1S....
74 2FSZ - OHT C26 H29 N O2 CC/C(=C(c1....
75 2NV7 ic50 = 5 nM 555 C17 H13 N O2 c1ccc2c(c1....
76 3FS1 - MYR C14 H28 O2 CCCCCCCCCC....
77 2ZAS ic50 = 13.9 nM 1OH C15 H16 O CC(C)(c1cc....
78 2EWP ic50 = 0.079 uM TXF C27 H31 N O3 CN(C)CCOc1....
79 1S9P - DES C18 H20 O2 CC/C(=C(/C....
80 2E2R Kd = 5.5 nM 2OH C15 H16 O2 CC(C)(c1cc....
81 2P7Z Kd = 0.262 uM OHT C26 H29 N O2 CC/C(=C(c1....
82 2GPU - OHT C26 H29 N O2 CC/C(=C(c1....
83 2P7A Kd = 0.788 uM 43M C7 H7 Cl O Cc1cc(ccc1....
84 2P7G Kd = 0.297 uM 2OH C15 H16 O2 CC(C)(c1cc....
85 1S9Q - OHT C26 H29 N O2 CC/C(=C(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA LEU ALA ALA LEU LEU ALA ALA; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 1 1
2 ALA LEU ALA LEU 0.679245 1
3 ALA ALA ALA ALA SER ALA ALA 0.666667 0.769231
4 ALA ALA ALA ALA ALA ALA ALA 0.652174 0.8125
5 ALA ALA ALA 0.630435 0.8125
6 PHE GLU ALA LYS LYS LEU VAL 0.528571 0.8
7 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.5 0.727273
8 ALA ALA 0.489362 0.75
9 DAL DAL 0.489362 0.75
10 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.485294 0.681818
11 ALA THR ALA ALA 0.465517 0.702703
12 ALA ALA ALA ALA ALA 0.462963 0.75
13 ALA ALA ALA ALA 0.462963 0.75
14 ALA LEU 0.461538 0.90625
15 VAL THR SER VAL VAL 0.446154 0.794872
16 ALA ALA SER ALA SER ALA 0.444444 0.725
17 ARG GLN ALA ASN PHE LEU GLY LYS 0.444444 0.711111
18 LEU LEU LEU 0.440678 1
19 HIS GLU GLU LEU ALA LYS LEU 0.423077 0.8
20 ARG ARG ALA ALA 0.410959 0.666667
21 ACE GLN LEU ASP LEU ALA 0.410959 0.864865
22 ALA ALA LEU THR ARG ALA 0.406977 0.632653
23 MET ALA ALA 0.403226 0.794872
24 ACE GLN LEU ALA LEU PHE 0.402439 0.820513
25 ALA GLU ALA ALA GLN ALA 0.4 0.833333
26 ASP GLU VAL THR SER THR THR SER SER SER 0.4 0.756098
27 ALA ALA CE7 0.4 0.789474
Ligand no: 2; Ligand: MYR; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FS1; Ligand: ALA ALA LEU ALA ALA LEU LEU ALA ALA; Similar sites found with APoc: 417
This union binding pocket(no: 1) in the query (biounit: 3fs1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2XXP DSL None
2 1BWO LPC None
3 1XSE NDP None
4 5KAU RHQ None
5 4RJD TFP None
6 2FKW RG1 None
7 4F4S EFO None
8 5MWE TCE None
9 4WQ2 3SU None
10 4NBT NAD None
11 4KVX ACO None
12 2Z9I GLY ALA THR VAL 0.869565
13 4RC8 STE 0.900901
14 4RHP PEF 1.30435
15 3RKR NAP 1.30435
16 5OVK NDP 1.73913
17 1G27 BB1 1.78571
18 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 1.97368
19 2VWA PTY 1.9802
20 3E3U NVC 2.03046
21 5GPG RAP 2.15054
22 3U3U EAH 2.17391
23 4ZBR NPS 2.17391
24 4ZBR DIF 2.17391
25 1N6B DMZ 2.17391
26 3GKJ HC3 2.17391
27 5JFL NAD 2.17391
28 1VGV UD1 2.17391
29 2ZKJ ADP 2.17391
30 4O1Z MXM 2.17391
31 3ROE THM 2.26415
32 3WH1 NAG NAG NAG NAG 2.42718
33 3SUD SUE 2.46305
34 2GJ3 FAD 2.5
35 4XUB 43D 2.5641
36 3G08 FEE 2.6087
37 2WUF KEM 2.6087
38 4RFM 3P6 2.6087
39 3OV6 MK0 2.6087
40 3RUG DB6 2.6087
41 5C9J STE 2.6087
42 4M4Q 21A 2.6087
43 4COL DTP 2.6087
44 5AZC PGT 2.6087
45 2C9E PID 2.6087
46 5B4B LP5 2.6087
47 2GN4 UD1 2.6087
48 2YNC YNC 2.6087
49 4KWD JF2 2.6087
50 3GGO NAI 2.6087
51 3GGO ENO 2.6087
52 3AQT RCO 2.6087
53 1Z3C SA8 2.6087
54 4V3I ASP LEU THR ARG PRO 2.6087
55 2AG5 NAD 2.6087
56 5FEU NAP 2.6087
57 5XK9 DMA 2.6087
58 5XK9 GST 2.6087
59 1UHK CZN 2.6178
60 1Q1Y BB2 2.6178
61 1M5B BN1 2.6616
62 3EM0 CHD 2.89855
63 4F7E 0SH 3.04348
64 3L9R L9Q 3.04348
65 4BNU 9KQ 3.04348
66 5DY5 5GR 3.04348
67 3WCA FPS 3.04348
68 2X5W K2B 3.04348
69 3L9R L9R 3.04348
70 5W8Q BU4 3.04348
71 1IYK MYA 3.04348
72 5AE9 OKO 3.04348
73 6B21 C9V 3.04348
74 5FM0 WAQ 3.04348
75 5K53 STE 3.04348
76 3B9Z CO2 3.04348
77 2W90 6PG 3.04348
78 1VPV PLM 3.04348
79 5LJ0 6XX 3.07692
80 4Q0P 0MK 3.07692
81 3EWK FAD 3.0837
82 5V4R MGT 3.08642
83 6CHP F0Y 3.10559
84 2CIG 1DG 3.14465
85 5JNN 6LM 3.15789
86 3ZLR X0B 3.16456
87 1S17 GNR 3.33333
88 4FDV 0UK 3.34928
89 3O01 DXC 3.47826
90 5HGR 45D 3.47826
91 2XCG XCG 3.47826
92 5LX9 OLB 3.47826
93 4ONA UW1 3.47826
94 5OHJ 9VE 3.47826
95 3GWT 066 3.47826
96 1XMU ROF 3.47826
97 3G6K POP 3.47826
98 1XM4 PIL 3.47826
99 3G6K FAD 3.47826
100 2BHZ MAL 3.47826
101 3Q2H QHF 3.47826
102 1XMY ROL 3.47826
103 3RGA ILD 3.47826
104 6FQZ 6PG 3.47826
105 4JE7 BB2 3.5533
106 4IAE 1DX 3.7037
107 4KBS PX2 3.72093
108 3X1M COA 3.77358
109 3D04 SAK 3.77358
110 5HCN DAO 3.83142
111 5K7K 6RJ 3.91304
112 3RWP ABQ 3.91304
113 5OSW AE4 3.91304
114 1OWB NAD 3.91304
115 2FV5 541 3.91304
116 3G5N PB2 3.91304
117 3T58 FAD 3.91304
118 2Q8G AZX 3.91304
119 4C2X NHW 3.91304
120 3QCP FAD 3.91304
121 1RQJ RIS 3.91304
122 2OZ5 7XY 3.91304
123 4I4B 1CV 3.91304
124 5W19 9TD 3.91304
125 5OSW DIU 3.91304
126 5G57 6M5 3.91304
127 2E9L OLA 3.91304
128 5U3B 7TD 3.91304
129 5V13 JH3 3.91304
130 1TMX HGX 3.91304
131 5UWA 8ND 3.94089
132 3IIS PID 3.97351
133 1XZ3 ICF 4.02299
134 3QLM PLM 4.03226
135 2HW2 RFP 4.1958
136 2VBQ BSJ 4.24242
137 3E70 GDP 4.34783
138 1T27 PCW 4.34783
139 2RH1 CAU 4.34783
140 4Y30 49L 4.34783
141 2ALG DAO 4.34783
142 2ALG HP6 4.34783
143 1XON PIL 4.34783
144 3G58 988 4.34783
145 3G4G D71 4.34783
146 5V3Y 5V8 4.34783
147 4OMJ 2TX 4.34783
148 4C2V YJA 4.34783
149 1OLM VTQ 4.34783
150 1SUW NAP 4.34783
151 2GWH PCI 4.34783
152 5KOR GDP 4.34783
153 2RH1 CLR 4.34783
154 2EW5 Y12 4.41989
155 1KPH 10A 4.52962
156 3KXC PLM 4.63918
157 4UCC ZKW 4.72103
158 3WQM B29 4.78261
159 6BR8 6OU 4.78261
160 2C0U FAD NBT 4.78261
161 2OBD PCW 4.78261
162 5DEY 59T 4.78261
163 4NKW PLO 4.78261
164 6BR9 PGV 4.78261
165 1PZO CBT 4.78261
166 6BR8 PGV 4.78261
167 5K52 OCD 4.78261
168 3SJU NDP 4.78261
169 2OKL BB2 4.86486
170 4DOO DAO 4.87805
171 2QHD DAO 4.91803
172 5IF4 6AK 5.03145
173 2EI4 22B 5.13834
174 4DR9 BB2 5.20833
175 5C1M OLC 5.21739
176 2A1L PCW 5.21739
177 2R0N TGC 5.21739
178 1EE0 CAA 5.21739
179 4XRQ 1B0 5.21739
180 2D3M COA 5.21739
181 1RX0 2MC 5.21739
182 3LDW ZOL 5.21739
183 6GNF ADP 5.21739
184 5ZKC 3C0 5.21739
185 5BU3 4W9 5.43478
186 3G5K BB2 5.46448
187 1KPG 16A 5.65217
188 5A8E XTK 5.65217
189 3ICC NAP 5.65217
190 2Z7I 742 5.65217
191 2C78 PUL 5.65217
192 2IZ1 RES 5.65217
193 3OJO NAD 5.65217
194 3PVT 3HC 5.78778
195 5LWY OLB 5.88235
196 2FP2 TSA 6.0241
197 3HUJ AGH 6.08696
198 5LOF 70R 6.08696
199 3T6E MQ9 6.08696
200 6C1R EFD 6.08696
201 1PFK FBP 6.08696
202 1WS1 BB2 6.41026
203 2QJY SMA 6.41711
204 3JUQ AKD 6.48649
205 3JUQ AJD 6.48649
206 5HH0 COA 6.5
207 3GQT UFO 6.52174
208 6BQC LOP 6.52174
209 1N1G BCP 6.52174
210 6AP8 BNY 6.52174
211 3KPX CZH 6.56566
212 1UVC STE 6.59341
213 3VVY ET 6.70103
214 5N1X 8HH 6.77966
215 1UI0 URA 6.82927
216 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.95652
217 4B7P 9UN 6.95652
218 3WYJ H78 6.95652
219 2H7C COA 6.95652
220 4V1T ADP 6.95652
221 6EOP F15 6.95652
222 3FWN ATR 6.95652
223 3FWN 6PG 6.95652
224 3H2K BOG 6.95652
225 4QED NAP 6.95652
226 2O3Z AI7 7.01107
227 5A0R ACE GLU VAL ASN PRO 7.07071
228 1JF0 CZH 7.17949
229 1QV1 CZH 7.17949
230 4ELG 52J 7.22892
231 4ELG 52I 7.22892
232 1GNI OLA 7.3913
233 6F6E PLM 7.3913
234 5BVE 4VG 7.3913
235 2P1C GG3 7.3913
236 6F70 GSH 7.3913
237 1JQ9 PHE LEU SER TYR LYS 7.43802
238 1T57 FMN 7.76699
239 1D6H COA 7.82609
240 3HB5 E2B 7.82609
241 1FCH TYR GLN SER LYS LEU 7.82609
242 3HB5 NAP 7.82609
243 2XSU PIE 7.82609
244 6AP6 TLF 7.82609
245 1VLH PNS 8.09249
246 3E7O 35F 8.26087
247 3LN0 52B 8.26087
248 1M21 PHE CSI LEU PHA 8.26087
249 4LY9 1YY 8.26087
250 3KRO IPE 8.26087
251 3KRO DST 8.26087
252 4Q9M 2ZW 8.26087
253 4MRP GSH 8.26087
254 4Q9M FPP 8.26087
255 1TUU PIS 8.26087
256 2C43 COA 8.35913
257 1OW4 2AN 8.52713
258 1P1M MET 8.69565
259 2BD0 NAP 8.69565
260 3EE4 MYR 8.69565
261 3P5P A3C 8.69565
262 5JF2 SF7 8.82353
263 1N8V BDD 8.92857
264 3COW 52H 9.13043
265 3W54 RNB 9.13043
266 4P42 PEE 9.13043
267 1LQY BB2 9.23913
268 5IKH 6BW 9.56522
269 4OUE IPT 9.56522
270 4ZW3 4S9 9.56522
271 3SE5 ANP 9.7561
272 4EOX 0S5 9.85222
273 6F68 4EU 10
274 2A06 SMA 10
275 6F68 GSH 10
276 5MTE BB2 10.219
277 4WGF HX2 10.2439
278 6C7R EO4 10.4
279 4G31 0WH 10.4348
280 6B2M COA 10.4348
281 4DXJ 0M9 10.4348
282 4DXJ IPE 10.4348
283 2YNM PMR 10.4348
284 1SBR VIB 10.5
285 1Y4Z PCI 10.6667
286 5WIU AQD 10.8696
287 6CI9 NAP 11.3043
288 3EYK EYK 11.3043
289 3V66 D3A 11.7391
290 2YOO K2B 11.7391
291 5N5U 7N8 12.1739
292 5N5U AMP 12.1739
293 4G5H NAP 12.6087
294 4G5H UD7 12.6087
295 6FS8 E4Z 12.6087
296 6A1G 9OL 12.6087
297 5NWI TYR PHE SER SEP ASN 12.6087
298 5FH7 5XL 12.9032
299 4INB 1F6 13.0435
300 5G3N X28 13.3858
301 5Z1N PEF 13.6905
302 2GTE VA 13.7097
303 5WX3 COA 13.913
304 5IQT 6CU 13.913
305 6GL8 F3Q 13.9535
306 2WKV COA 14.7826
307 1DTL BEP 14.7826
308 5N69 2OW 14.7826
309 4B6C B5U 14.7959
310 1RL4 BL5 14.8936
311 1RV1 IMZ 15.2941
312 2D5X L35 15.6028
313 3TDC 0EU 15.6522
314 5W7B MYR 16.087
315 1ECM TSA 16.5138
316 4NAT ADP 16.875
317 3TL1 JRO 16.9811
318 4IBF 1D5 17.0543
319 5LXT 7AK 18.1818
320 2IBZ UQ6 18.8976
321 2IBZ SMA 18.8976
322 3CXH SMA 19.0476
323 3CX5 SMA 19.0476
324 4HBM 0Y7 19.1667
325 1EZV SMA 19.2
326 3D9F N6C 19.5652
327 5KHD C2E 19.7802
328 4OGQ 2WM 20.6897
329 4OGQ 2WA 20.6897
330 5ECP ATP 20.8696
331 5ECP MET 20.8696
332 5ECP JAA 20.8696
333 2D5Z L35 21.2329
334 4GFD 0YB 21.4634
335 4OAS 2SW 23.9583
336 2Y69 CHD 24.2604
337 2QZT PLM 25.2252
338 5Z84 PEK 27.8912
339 5ZCO PEK 27.8912
340 5ZCO TGL 27.8912
341 5Z84 TGL 27.8912
342 5Z84 PGV 27.8912
343 2DYR TGL 27.8912
344 2DYS TGL 27.8912
345 2DYS PGV 27.8912
346 2DYR PEK 27.8912
347 5ZCO PGV 27.8912
348 2DYR PGV 27.8912
349 2DYS PEK 27.8912
350 5Z84 CHD 27.8912
351 4P6W MOF 28.6957
352 4P6X HCY 28.6957
353 3VRV YSD 30
354 2O4J VD4 30
355 5XPL 8C9 30
356 4LSJ LSJ 30.4348
357 5G5W R8C 30.4348
358 4E2J MOF 30.8696
359 5UFS 1TA 30.8696
360 3BEJ MUF 31.7391
361 5HCV 60R 31.7391
362 2A3I C0R 31.7391
363 5MWY YNU 31.7391
364 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 32.1739
365 5L7G 6QE 32.1739
366 4UDB CV7 32.1739
367 5UC1 486 32.6087
368 5IXK 6EW 33.0435
369 5NTP 98E 33.4783
370 2AX9 BHM 33.4783
371 1SR7 MOF 33.4783
372 3OKI OKI 33.4783
373 5NTW 98N 33.4783
374 4OAR 2S0 33.4783
375 3RUU 37G 33.4783
376 4OIV XX9 33.913
377 3FUR Z12 34.3478
378 5TWO 7MV 34.3478
379 2HFP NSI 34.3478
380 4REF 3N0 35.2174
381 3IPQ 965 35.6522
382 1M13 HYF 36.087
383 6ESN BWE 36.5217
384 3KDU NKS 36.9565
385 3KMZ EQO 36.9565
386 3FEI CTM 36.9565
387 1K7L 544 36.9565
388 5K13 6Q7 36.9565
389 3KMR EQN 36.9565
390 2NPA MMB 36.9565
391 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 37.3913
392 5LGA 6VH 37.3913
393 5E7V M7E 37.3913
394 5WGD EST 38.6957
395 5WGQ EST 38.6957
396 3UUD EST 38.6957
397 6FX0 E9T 38.6957
398 4MGD 27N 38.6957
399 5HYR EST 38.6957
400 4MGB XDH 38.6957
401 3UUA 0CZ 38.6957
402 5DX3 EST 39.1304
403 4DK7 0KS 39.1304
404 3L0E G58 40
405 3KFC 61X 40.4348
406 4DM8 REA 41.3043
407 5DXE EST 41.7391
408 4MGA 27L 41.7391
409 5DXG EST 41.7391
410 4MG7 27H 41.7391
411 4MG9 27K 41.7391
412 1YYE 196 44.3478
413 2YJD YJD 45.2174
414 4J26 EST 45.2174
415 4J24 EST 45.2174
416 3OLL EST 45.2174
417 1U3R 338 45.2174
Pocket No.: 2; Query (leader) PDB : 3FS1; Ligand: MYR; Similar sites found with APoc: 216
This union binding pocket(no: 2) in the query (biounit: 3fs1.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4RJD TFP None
2 5ET3 60C None
3 1MID LAP None
4 3QDV NDG None
5 1L0I PSR None
6 6BKL EU7 None
7 5CSD ACD None
8 1ZEI CRS None
9 3ZQE DXC 0.869565
10 3KU0 ADE 1.30435
11 3ZZH NLG 1.30435
12 4XUC SAM 1.37615
13 4XUC 43G 1.37615
14 5Z3I ADE 1.73913
15 5E58 CPZ 1.73913
16 1LPD ADE 1.73913
17 2HFN FMN 1.96078
18 3E3U NVC 2.03046
19 2CI5 HCS 2.17391
20 1Q11 TYE 2.17391
21 2JAJ D20 2.17391
22 5I8F ML1 2.42424
23 2W9S TOP 2.48447
24 5FPN KYD 2.6087
25 3AQT RCO 2.6087
26 2HZL PYR 2.6087
27 1QPR PHT 2.6087
28 5C9J DAO 2.6087
29 4KWD JF2 2.6087
30 3UPY FOM 2.6087
31 1UCN ADP 2.63158
32 4Y9J UCC 3.04348
33 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.04348
34 2BHW NEX 3.04348
35 2AQX ATP 3.04348
36 2H12 OAA 3.04348
37 5V4R MGT 3.08642
38 2IF8 ADP 3.47826
39 5LX9 OLB 3.47826
40 6APL C5P 3.47826
41 3HVJ 705 3.61991
42 4O4Z N2O 3.8961
43 6A0S NDP 3.91304
44 6MVU K4V 3.91304
45 5OSW DIU 3.91304
46 5K7K 6RJ 3.91304
47 1RM0 D6P 3.91304
48 3HCN CHD 3.91304
49 5U3B 7TD 3.91304
50 1G0N NDP 3.91304
51 1G0N PHH 3.91304
52 1RM0 NAI 3.91304
53 5VRH OLB 3.91304
54 1XZ3 ICF 4.02299
55 5FQK 6NT 4.34783
56 4OMJ 2TX 4.34783
57 5XNA SHV 4.34783
58 3CHT 4NB 4.34783
59 2RH1 CAU 4.34783
60 1OLM VTQ 4.34783
61 4OCJ NDG 4.34783
62 3BRN SRO 4.4586
63 5WRE 7TL 4.51613
64 4UCC ZKW 4.72103
65 2QE0 NAP 4.78261
66 1Q7E MET 4.78261
67 2WTN FER 4.78261
68 4N6H EJ4 4.78261
69 1M1B SPV 4.78261
70 3M0J OAF 4.78261
71 5BU2 RIB 4.78261
72 4EXO PYR 4.78261
73 4WZ8 3W7 4.78261
74 2BP1 FLC 5
75 5C1M 4VO 5.21739
76 4E70 N7I 5.21739
77 5ZKC 3C0 5.21739
78 5C1M OLC 5.21739
79 5BO9 CSF 5.21739
80 1NHX PEP 5.21739
81 2VPY PCI 5.64103
82 5A8E XTK 5.65217
83 3HP9 CF1 5.65217
84 1QCI ADE 5.65217
85 2Y0I AKG 5.65217
86 5GUE GGS 5.65217
87 4I9B 1KA 5.65217
88 5LWY OLB 5.88235
89 4EKQ NPO 5.88235
90 3AI3 SOE 6.08696
91 2YLD CMO 6.29921
92 2GBB CIT 6.41026
93 4OKZ 3E9 6.52174
94 2VVT I24 6.52174
95 1UVC STE 6.59341
96 1UI0 URA 6.82927
97 3H2K BOG 6.95652
98 5CKS GAL 6.95652
99 5IUY BOG 6.95652
100 3HYW DCQ 6.95652
101 4WOE 3S5 6.95652
102 3ANY 2A3 6.95652
103 3PQC GDP 7.17949
104 2XIG CIT 7.33333
105 6FK3 PPI 7.3913
106 4QO5 NAG 7.3913
107 4MZU TDR 7.82609
108 4MRP GSH 8.26087
109 3LN0 52B 8.26087
110 4UMJ BFQ 8.78378
111 3IQE F42 9.54064
112 3IQE H4M 9.54064
113 5TVI MYR 9.78261
114 5TS5 FAD 10
115 4WGF HX2 10.2439
116 3LE7 ADE 10.8696
117 2HFU MEV 11.3043
118 1PU7 39A 11.4679
119 5A89 FMN 11.5385
120 5A89 ADP 11.5385
121 1T0S BML 11.7391
122 5IM3 DTP 11.7391
123 5N5U 7N8 12.1739
124 4CRL C1I 12.6087
125 4RQL SNE 13.4783
126 1DTL BEP 14.7826
127 4F06 PHB 16.087
128 1ECM TSA 16.5138
129 4NAT 2W5 16.875
130 3UP3 XCA 17.3913
131 3D9F N6C 19.5652
132 3D9F FAD 19.5652
133 4P6X HCY 28.6957
134 4P6W MOF 28.6957
135 2Q1H AS4 29.5652
136 3VRV YSD 30
137 2O4J VD4 30
138 5XPL 8C9 30
139 1M2Z DEX 30
140 3BQD DAY 30
141 3RY9 1CA 30.4348
142 5G5W R8C 30.4348
143 4LSJ LSJ 30.4348
144 1NHZ 486 30.4348
145 5UFS 1TA 30.8696
146 3GN8 DEX 30.8696
147 4E2J MOF 30.8696
148 5MWY YNU 31.7391
149 5HCV 60R 31.7391
150 2A3I C0R 31.7391
151 3BEJ MUF 31.7391
152 5L7G 6QE 32.1739
153 4UDB CV7 32.1739
154 3DCT 064 32.1739
155 3JZB 4HY 32.1739
156 5UC1 486 32.6087
157 5APK 76E 33.0435
158 5IXK 6EW 33.0435
159 1N46 PFA 33.0435
160 5NTP 98E 33.4783
161 1SR7 MOF 33.4783
162 3V49 PK0 33.4783
163 4OAR 2S0 33.4783
164 3OKI OKI 33.4783
165 5NTW 98N 33.4783
166 3RUU 37G 33.4783
167 5ICK FEZ 33.4783
168 2AX9 BHM 33.4783
169 4OIV XX9 33.913
170 3G9E RO7 34.3478
171 5TWO 7MV 34.3478
172 2PRG BRL 34.3478
173 3IPQ 965 35.6522
174 1M13 HYF 36.087
175 4S15 4D8 36.087
176 6ESN BWE 36.5217
177 3KDU NKS 36.9565
178 5K13 6Q7 36.9565
179 3KMR EQN 36.9565
180 1K7L 544 36.9565
181 3SP6 IL2 36.9565
182 3FEI CTM 36.9565
183 3KMZ EQO 36.9565
184 2NPA MMB 36.9565
185 3ET1 ET1 36.9565
186 5LGA 6VH 37.3913
187 5E7V M7E 37.3913
188 4Q0A 4OA 37.3913
189 5WGQ EST 38.6957
190 5WGD EST 38.6957
191 3UUD EST 38.6957
192 5HYR EST 38.6957
193 4MGB XDH 38.6957
194 4MGD 27N 38.6957
195 3UUA 0CZ 38.6957
196 6FX0 E9T 38.6957
197 5DX3 EST 39.1304
198 4DK7 0KS 39.1304
199 3L0E G58 40
200 3KFC 61X 40.4348
201 4DM8 REA 41.3043
202 4MG9 27K 41.7391
203 4MG8 27J 41.7391
204 5DXG EST 41.7391
205 5DXE EST 41.7391
206 4TUZ 36J 41.7391
207 3UU7 2OH 41.7391
208 4MG7 27H 41.7391
209 4TV1 36M 41.7391
210 4MGA 27L 41.7391
211 1YYE 196 44.3478
212 4J26 EST 45.2174
213 4J24 EST 45.2174
214 3OLL EST 45.2174
215 2YJD YJD 45.2174
216 1U3R 338 45.2174
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