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Receptor
PDB id Resolution Class Description Source Keywords
4E4Q 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PPARGAMMA WITH THE LIGAND FS214 HOMO SAPIENS BUNDLE OF ALPHA-HELICES AND A SMALL FOUR-STRANDED BETA-SHEETTRANSCRIPTION FACTOR TRANSCRIPTION
Ref.: NEW 2-(ARYLOXY)-3-PHENYLPROPANOIC ACIDS AS PEROXISO PROLIFERATOR-ACTIVATED RECEPTOR ALPHA/GAMMA DUAL AG ABLE TO UPREGULATE MITOCHONDRIAL CARNITINE SHUTTLE GENE EXPRESSION. J.MED.CHEM. V. 56 60 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RRH A:501;
Valid;
none;
submit data
360.446 C24 H24 O3 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P4Y 2.25 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN PPAR-GAMMA-LIGAND BINDING DOMAIN COMPLEXED WITH AN INDOLE-BASED MODULATOR HOMO SAPIENS NUCLEAR RECEPTOR LIGAND BINDING DOMAIN LBD ALPHA HELIX SANDWICH PPAR-HOMODIMER SPPARGM PARTIAL AGONIST TRANSCRIPTION
Ref.: THE DIFFERENTIAL INTERACTIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGANDS WITH TYR473 IS A PHYSICAL BASIS FOR THEIR UNIQUE BIOLOGICAL ACTIVITIES. MOL.PHARMACOL. V. 73 62 2008
Members (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2Q61 - SF1 C22 H16 Cl N O2 S c1ccc(cc1)....
2 3AN3 - M7S C37 H43 N O4 CCCOc1ccc(....
3 1ZEO ic50 = 0.21 uM C01 C25 H30 N O5 CCCc1cc2c(....
4 3R8I Kd = 4.5 uM XCX C26 H34 N2 O4 CCCCCCCN(C....
5 3ADW Kd = 72.8 uM MYI C11 H11 N O3 COc1ccc2c(....
6 4E4K - RRG C24 H24 O3 CC(C)c1ccc....
7 4XUH ic50 = 1.87 uM SFI C20 H17 F O2 S CC1=C(c2cc....
8 2POB - GW4 C36 H35 N3 O4 Cc1c(nc(o1....
9 2HWR - DRD C35 H35 N O5 CCCc1c2ccc....
10 4R2U - 3JX C33 H29 N3 O5 Cc1c(n(c2c....
11 2ZNO - S44 C32 H41 N O4 CCCOc1ccc(....
12 4XUM ic50 = 21.3 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
13 3R5N Kd = 1.67 uM MLO C18 H18 O2 C=CCc1ccc(....
14 2HWQ - DRY C33 H31 N O5 CCCc1c2ccc....
15 3VJH - J35 C22 H24 F3 N O4 CCC[C@@H](....
16 3U9Q Ki = 41.7 uM DKA C10 H20 O2 CCCCCCCCCC....
17 2Q6R - SF2 C23 H18 Cl N O3 S COc1cccc(c....
18 2P4Y Ki = 0.001 uM C03 C28 H22 Cl F3 N2 O6 Cc1c(c2ccc....
19 5Y2O - 8N6 C19 H20 N2 O3 S CCc1ccc(nc....
20 3D6D - LRG C21 H18 O3 c1ccc(cc1)....
21 2F4B ic50 = 50 nM EHA C33 H31 N O5 CCCc1c2ccc....
22 3BC5 ic50 = 0.005 uM ZAA C29 H26 N4 O4 Cc1c(nc(o1....
23 3VSO - EK1 C31 H31 N3 O4 CCCOc1ccc(....
24 4R06 Kd = 565 nM 3E7 C28 H24 N2 O3 S CC[C@@H](c....
25 1I7I - AZ2 C20 H24 O7 S CCO[C@@H](....
26 4R6S - 3K2 C33 H29 N3 O5 Cc1c(n(c2c....
27 3GBK - 2PQ C38 H41 N O5 CCCc1cc(cc....
28 3SZ1 - LU2 C15 H10 O6 c1cc(c(cc1....
29 2ZVT - PTG C20 H28 O3 CCCCCC=CC=....
30 2ATH ic50 = 0.152 uM 3EA C24 H23 F3 N2 O5 CCCc1c(ccc....
31 4XLD - BRL C18 H19 N3 O3 S CN(CCOc1cc....
32 6C5Q ic50 = 220 nM EKS C34 H40 N2 O4 Cc1c(n(c2c....
33 2G0H ic50 = 22.7 nM SP3 C21 H12 F7 N3 O2 S2 c1cc(sc1)c....
34 2Q5P - 241 C28 H24 F3 N O6 Cc1c(c2cc(....
35 2GTK ic50 = 0.251 uM 208 C24 H23 Cl N2 O4 CCO[C@@H](....
36 4Y29 ic50 = 566 nM CTI C21 H18 N O4 C[n+]1cc2c....
37 5UGM - 8A7 C24 H20 N2 O4 S2 Cc1c(nc(o1....
38 2I4J - DRJ C27 H36 N2 O4 CCCCCCCN(C....
39 3R8A - HIG C26 H25 N7 CCc1nc2c(c....
40 4XTA ic50 = 3.7 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
41 3TY0 ic50 = 83.1 nM 082 C26 H20 N4 O6 C[C@]1(C(=....
42 4YT1 - JJB C29 H28 N4 O5 S CCCOc1ccc(....
43 2ZK6 - C08 C22 H31 B F2 N2 O2 [B-]1(n2c(....
44 3ADS Kd = 9.73 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
45 3ET0 - GLC C6 H12 O6 C([C@@H]1[....
46 5Y2T - 8LX C24 H24 N4 O5 S CN(CCOc1cc....
47 4E4Q - RRH C24 H24 O3 CC(C)c1ccc....
48 1KNU - YPA C25 H25 N O4 CCO[C@@H](....
49 2Q8S ic50 = 0.185 uM L92 C26 H26 N2 O3 Cc1c(nc(o1....
50 2YFE Ki = 0.236 uM YFE C21 H24 O4 CC(=CCc1c(....
51 4EM9 - KNA C9 H18 O2 CCCCCCCCC(....
52 2Q6S - PLB C18 H11 Cl2 N3 O4 c1cnc(nc1)....
53 3AN4 - M7R C37 H43 N O4 CCCOc1ccc(....
54 3PBA - ZXG C15 H12 Br4 O5 S CC(C)(c1cc....
55 3ADV Kd = 933 uM SRO C10 H12 N2 O c1cc2c(cc1....
56 6ENQ - BJB C19 H15 Cl N2 O4 S2 c1cc2c(cc1....
57 6C1I ic50 = 85 nM EEY C12 H8 Cl N3 O3 c1cc(c(cc1....
58 2Q5S - NZA C22 H15 Cl2 N O2 S c1ccc(cc1)....
59 5F9B - 5VN C30 H48 O5 C[C@]12CC[....
60 2I4P - DRH C27 H36 N2 O4 CCCCCCC[N@....
61 5LSG Kd = 4 uM QZQ C30 H46 O3 CC(=C)[C@@....
62 5TTO - 7KK C21 H11 Br Cl2 F2 N2 O3 S c1ccc2c(c1....
63 5HZC - 65W C20 H18 O3 CC(C)(C(=O....
64 3IA6 ic50 = 0.003 uM UNT C24 H24 N4 O3 Cc1c(nc(o1....
65 3ADX - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
66 6F2L - AXY C27 H22 O3 c1ccc(cc1)....
67 3HOD - ZZH C22 H20 O3 c1ccc(cc1)....
68 6AVI - KNA C9 H18 O2 CCCCCCCCC(....
69 2I4Z - DRH C27 H36 N2 O4 CCCCCCC[N@....
70% Homology Family (104)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2Q61 - SF1 C22 H16 Cl N O2 S c1ccc(cc1)....
2 3AN3 - M7S C37 H43 N O4 CCCOc1ccc(....
3 1ZEO ic50 = 0.21 uM C01 C25 H30 N O5 CCCc1cc2c(....
4 3R8I Kd = 4.5 uM XCX C26 H34 N2 O4 CCCCCCCN(C....
5 3ADW Kd = 72.8 uM MYI C11 H11 N O3 COc1ccc2c(....
6 4E4K - RRG C24 H24 O3 CC(C)c1ccc....
7 4XUH ic50 = 1.87 uM SFI C20 H17 F O2 S CC1=C(c2cc....
8 2POB - GW4 C36 H35 N3 O4 Cc1c(nc(o1....
9 2HWR - DRD C35 H35 N O5 CCCc1c2ccc....
10 4R2U - 3JX C33 H29 N3 O5 Cc1c(n(c2c....
11 2ZNO - S44 C32 H41 N O4 CCCOc1ccc(....
12 4XUM ic50 = 21.3 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
13 3R5N Kd = 1.67 uM MLO C18 H18 O2 C=CCc1ccc(....
14 2HWQ - DRY C33 H31 N O5 CCCc1c2ccc....
15 3VJH - J35 C22 H24 F3 N O4 CCC[C@@H](....
16 3U9Q Ki = 41.7 uM DKA C10 H20 O2 CCCCCCCCCC....
17 2Q6R - SF2 C23 H18 Cl N O3 S COc1cccc(c....
18 2P4Y Ki = 0.001 uM C03 C28 H22 Cl F3 N2 O6 Cc1c(c2ccc....
19 5Y2O - 8N6 C19 H20 N2 O3 S CCc1ccc(nc....
20 3D6D - LRG C21 H18 O3 c1ccc(cc1)....
21 2F4B ic50 = 50 nM EHA C33 H31 N O5 CCCc1c2ccc....
22 3BC5 ic50 = 0.005 uM ZAA C29 H26 N4 O4 Cc1c(nc(o1....
23 3VSO - EK1 C31 H31 N3 O4 CCCOc1ccc(....
24 4R06 Kd = 565 nM 3E7 C28 H24 N2 O3 S CC[C@@H](c....
25 1I7I - AZ2 C20 H24 O7 S CCO[C@@H](....
26 4R6S - 3K2 C33 H29 N3 O5 Cc1c(n(c2c....
27 3GBK - 2PQ C38 H41 N O5 CCCc1cc(cc....
28 3SZ1 - LU2 C15 H10 O6 c1cc(c(cc1....
29 2ZVT - PTG C20 H28 O3 CCCCCC=CC=....
30 2ATH ic50 = 0.152 uM 3EA C24 H23 F3 N2 O5 CCCc1c(ccc....
31 4XLD - BRL C18 H19 N3 O3 S CN(CCOc1cc....
32 6C5Q ic50 = 220 nM EKS C34 H40 N2 O4 Cc1c(n(c2c....
33 2G0H ic50 = 22.7 nM SP3 C21 H12 F7 N3 O2 S2 c1cc(sc1)c....
34 2Q5P - 241 C28 H24 F3 N O6 Cc1c(c2cc(....
35 2GTK ic50 = 0.251 uM 208 C24 H23 Cl N2 O4 CCO[C@@H](....
36 4Y29 ic50 = 566 nM CTI C21 H18 N O4 C[n+]1cc2c....
37 5UGM - 8A7 C24 H20 N2 O4 S2 Cc1c(nc(o1....
38 2I4J - DRJ C27 H36 N2 O4 CCCCCCCN(C....
39 3R8A - HIG C26 H25 N7 CCc1nc2c(c....
40 4XTA ic50 = 3.7 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
41 3TY0 ic50 = 83.1 nM 082 C26 H20 N4 O6 C[C@]1(C(=....
42 4YT1 - JJB C29 H28 N4 O5 S CCCOc1ccc(....
43 2ZK6 - C08 C22 H31 B F2 N2 O2 [B-]1(n2c(....
44 3ADS Kd = 9.73 uM IMN C19 H16 Cl N O4 Cc1c(c2cc(....
45 3ET0 - GLC C6 H12 O6 C([C@@H]1[....
46 5Y2T - 8LX C24 H24 N4 O5 S CN(CCOc1cc....
47 4E4Q - RRH C24 H24 O3 CC(C)c1ccc....
48 1KNU - YPA C25 H25 N O4 CCO[C@@H](....
49 2Q8S ic50 = 0.185 uM L92 C26 H26 N2 O3 Cc1c(nc(o1....
50 2YFE Ki = 0.236 uM YFE C21 H24 O4 CC(=CCc1c(....
51 4EM9 - KNA C9 H18 O2 CCCCCCCCC(....
52 2Q6S - PLB C18 H11 Cl2 N3 O4 c1cnc(nc1)....
53 3AN4 - M7R C37 H43 N O4 CCCOc1ccc(....
54 3PBA - ZXG C15 H12 Br4 O5 S CC(C)(c1cc....
55 3ADV Kd = 933 uM SRO C10 H12 N2 O c1cc2c(cc1....
56 6ENQ - BJB C19 H15 Cl N2 O4 S2 c1cc2c(cc1....
57 6C1I ic50 = 85 nM EEY C12 H8 Cl N3 O3 c1cc(c(cc1....
58 2Q5S - NZA C22 H15 Cl2 N O2 S c1ccc(cc1)....
59 5F9B - 5VN C30 H48 O5 C[C@]12CC[....
60 2I4P - DRH C27 H36 N2 O4 CCCCCCC[N@....
61 5LSG Kd = 4 uM QZQ C30 H46 O3 CC(=C)[C@@....
62 5TTO - 7KK C21 H11 Br Cl2 F2 N2 O3 S c1ccc2c(c1....
63 5HZC - 65W C20 H18 O3 CC(C)(C(=O....
64 3IA6 ic50 = 0.003 uM UNT C24 H24 N4 O3 Cc1c(nc(o1....
65 3ADX - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
66 6F2L - AXY C27 H22 O3 c1ccc(cc1)....
67 3HOD - ZZH C22 H20 O3 c1ccc(cc1)....
68 6AVI - KNA C9 H18 O2 CCCCCCCCC(....
69 2I4Z - DRH C27 H36 N2 O4 CCCCCCC[N@....
70 2AWH - VCA C18 H34 O2 CCCCCCC=CC....
71 5U3Y - 7U7 C27 H29 N O5 c1ccc(c(c1....
72 5U3T - 7UY C27 H31 N O4 S CC(C)N(Cc1....
73 5U3X - 7U4 C28 H30 N2 O4 c1ccc(c(c1....
74 2BAW - VCA C18 H34 O2 CCCCCCC=CC....
75 5U3Z - 7UA C27 H29 N O5 c1ccc(c(c1....
76 5U3Q - 7UJ C29 H33 N O4 CC(C)N(Cc1....
77 5U45 - 7SY C29 H30 F N O4 c1ccc(c(c1....
78 3SP9 - IL2 C22 H32 O4 CC#CC[C@@H....
79 3GWX ic50 = 4 uM EPA C20 H30 O2 CCC=C/CC=C....
80 5U3V - 7TY C29 H33 N O5 c1ccc(c(c1....
81 2XYJ - WLM C21 H23 Cl N4 O4 S2 CC(C)c1nnc....
82 5U3S - 7V4 C27 H31 N O5 CC(C)N(Cc1....
83 5U3W - 7U1 C29 H31 N O4 c1ccc(cc1)....
84 5U40 - 7UD C31 H31 N O5 c1ccc(cc1)....
85 1GWX - 433 C28 H28 Cl3 F N2 O4 CC(C)(C(=O....
86 5XMX - 89L C26 H27 N O5 C/C(=CCOc1....
87 5U44 - 7SV C29 H30 F N O4 c1ccc(c(c1....
88 3TKM Kd = 22 nM GW0 C21 H17 F4 N O3 S2 Cc1cc(ccc1....
89 5U41 - 7UG C31 H31 N O4 S c1ccc(cc1)....
90 5U42 - 7SM C30 H33 N O5 COc1cccc(c....
91 5U3U - 7TV C29 H33 N O5 c1ccc(c(c1....
92 3GZ9 Ki = 0.004 uM D32 C27 H23 F3 O5 S Cc1c(c(ccc....
93 5U46 - 7T1 C21 H18 F3 N O3 S2 Cc1cc(ccc1....
94 5U3R - 7V1 C27 H31 N O5 CC(C)N(Cc1....
95 3ET2 - ET1 C19 H19 N O6 S COc1ccc(cc....
96 5U43 - 7SS C30 H33 N O5 COc1ccc(cc....
97 2B50 - VCA C18 H34 O2 CCCCCCC=CC....
98 3PEQ ic50 = 32 nM 3EQ C30 H31 N O5 S2 CCCC[N@@](....
99 4BCR - WY1 C14 H14 Cl N3 O2 S Cc1cccc(c1....
100 1I7G ic50 = 1 uM AZ2 C20 H24 O7 S CCO[C@@H](....
101 3KDU ic50 = 347 nM NKS C28 H25 Cl N2 O6 Cc1ccc(cc1....
102 3VI8 - 13M C30 H27 N O4 CC[C@@H](C....
103 2ZNN - S44 C32 H41 N O4 CCCOc1ccc(....
104 5HYK - 65W C20 H18 O3 CC(C)(C(=O....
50% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3JZB ic50 ~ 0.1 nM 4HY C14 H9 I3 O4 c1cc(c(cc1....
2 4LNW - T3 C15 H12 I3 N O4 c1cc(c(cc1....
3 2H79 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
4 3HZF - B72 C20 H24 O4 Cc1cc(cc(c....
5 1NAV - IH5 C17 H16 Cl2 O4 CC(C)c1cc(....
6 4LNX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
7 2H77 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
8 3ET0 - GLC C6 H12 O6 C([C@@H]1[....
9 5Y2T - 8LX C24 H24 N4 O5 S CN(CCOc1cc....
10 4E4Q - RRH C24 H24 O3 CC(C)c1ccc....
11 1KNU - YPA C25 H25 N O4 CCO[C@@H](....
12 2Q8S ic50 = 0.185 uM L92 C26 H26 N2 O3 Cc1c(nc(o1....
13 2YFE Ki = 0.236 uM YFE C21 H24 O4 CC(=CCc1c(....
14 4EM9 - KNA C9 H18 O2 CCCCCCCCC(....
15 2Q6S - PLB C18 H11 Cl2 N3 O4 c1cnc(nc1)....
16 3AN4 - M7R C37 H43 N O4 CCCOc1ccc(....
17 3PBA - ZXG C15 H12 Br4 O5 S CC(C)(c1cc....
18 3ADV Kd = 933 uM SRO C10 H12 N2 O c1cc2c(cc1....
19 6ENQ - BJB C19 H15 Cl N2 O4 S2 c1cc2c(cc1....
20 6C1I ic50 = 85 nM EEY C12 H8 Cl N3 O3 c1cc(c(cc1....
21 2Q5S - NZA C22 H15 Cl2 N O2 S c1ccc(cc1)....
22 5F9B - 5VN C30 H48 O5 C[C@]12CC[....
23 2I4P - DRH C27 H36 N2 O4 CCCCCCC[N@....
24 5LSG Kd = 4 uM QZQ C30 H46 O3 CC(=C)[C@@....
25 5TTO - 7KK C21 H11 Br Cl2 F2 N2 O3 S c1ccc2c(c1....
26 5HZC - 65W C20 H18 O3 CC(C)(C(=O....
27 3IA6 ic50 = 0.003 uM UNT C24 H24 N4 O3 Cc1c(nc(o1....
28 3ADX - IMN C19 H16 Cl N O4 Cc1c(c2cc(....
29 6F2L - AXY C27 H22 O3 c1ccc(cc1)....
30 3HOD - ZZH C22 H20 O3 c1ccc(cc1)....
31 6AVI - KNA C9 H18 O2 CCCCCCCCC(....
32 2I4Z - DRH C27 H36 N2 O4 CCCCCCC[N@....
33 5U44 - 7SV C29 H30 F N O4 c1ccc(c(c1....
34 3TKM Kd = 22 nM GW0 C21 H17 F4 N O3 S2 Cc1cc(ccc1....
35 5U41 - 7UG C31 H31 N O4 S c1ccc(cc1)....
36 5U42 - 7SM C30 H33 N O5 COc1cccc(c....
37 5U3U - 7TV C29 H33 N O5 c1ccc(c(c1....
38 3GZ9 Ki = 0.004 uM D32 C27 H23 F3 O5 S Cc1c(c(ccc....
39 5U46 - 7T1 C21 H18 F3 N O3 S2 Cc1cc(ccc1....
40 5U3R - 7V1 C27 H31 N O5 CC(C)N(Cc1....
41 3ET2 - ET1 C19 H19 N O6 S COc1ccc(cc....
42 5U43 - 7SS C30 H33 N O5 COc1ccc(cc....
43 2B50 - VCA C18 H34 O2 CCCCCCC=CC....
44 3PEQ ic50 = 32 nM 3EQ C30 H31 N O5 S2 CCCC[N@@](....
45 3VI8 - 13M C30 H27 N O4 CC[C@@H](C....
46 2ZNN - S44 C32 H41 N O4 CCCOc1ccc(....
47 5HYK - 65W C20 H18 O3 CC(C)(C(=O....
48 3LBD - REA C20 H28 O2 CC1=C(C(CC....
49 1NQ2 - 4HY C14 H9 I3 O4 c1cc(c(cc1....
50 1XZX Kd = 0.06 nM T3 C15 H12 I3 N O4 c1cc(c(cc1....
51 3JZC ic50 ~ 1 nM 4HY C14 H9 I3 O4 c1cc(c(cc1....
52 1NQ0 - 4HY C14 H9 I3 O4 c1cc(c(cc1....
53 1XAP Kd = 2.5 nM TTB C24 H28 O2 C/C(=Cc1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RRH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 RRH 1 1
2 RRG 1 1
3 LRG 0.629032 0.793103
4 AXY 0.553846 0.793103
5 ZZH 0.545455 0.758621
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P4Y; Ligand: C03; Similar sites found with APoc: 378
This union binding pocket(no: 1) in the query (biounit: 2p4y.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOR 2AN None
2 3KPE TM3 None
3 1KNM LAT None
4 5WZU 7W3 None
5 4OWK NGA None
6 4UMJ BFQ None
7 4V1F BQ1 None
8 4RJD TFP None
9 6CS9 PIO None
10 5MOB A8S None
11 2F99 AKV None
12 5N8V KZZ None
13 6GD6 EVB None
14 4UYG 73B None
15 1WK9 TSB None
16 5B0I BOG 1.08303
17 1TMX HGX 1.08303
18 3HLX PQQ 1.16279
19 1Q2C COA 1.23457
20 2CNT COA 1.25
21 6CB2 OLC 1.44404
22 3KC1 2T6 1.44404
23 4DR9 BB2 1.5625
24 2YLD CMO 1.5748
25 3JUQ AJD 1.62162
26 3JUQ AKD 1.62162
27 1S8G DAO 1.65289
28 3AJ6 NGA 1.80505
29 6DIO CIT 1.80505
30 4OKD GLC GLC GLC 1.80505
31 5B25 4QJ 1.80505
32 3E70 GDP 1.80505
33 4DOL PLM 1.84332
34 4DE3 DN8 1.90114
35 5K53 STE 1.9084
36 4XB4 45D 1.97368
37 2OKL BB2 2.16216
38 1W55 GPP 2.16606
39 3CEV ARG 2.16606
40 4IA6 EIC 2.16606
41 2OG2 MLI 2.16606
42 1O6U PLM 2.16606
43 5VRH PLM 2.16606
44 1CZA ADP 2.16606
45 4HNN LYS 2.16606
46 6B21 C9V 2.16606
47 2P41 G1G 2.16606
48 5I3B HQE 2.16606
49 5XNA SHV 2.17391
50 3G5K BB2 2.18579
51 4K91 SIN 2.52708
52 2Z9V PXM 2.52708
53 1GZ4 FUM 2.52708
54 1UBY DMA 2.52708
55 3IX9 MTX 2.63158
56 5E5U MLT 2.65152
57 5E5U MLI 2.65152
58 5URY PAM 2.73973
59 3QKD HI0 2.76243
60 4TTQ ATP 2.7907
61 2RH1 CLR 2.88809
62 5F5N 5VD 2.88809
63 2O1V ADP 2.88809
64 3COB ADP 2.88809
65 3RDE OYP 2.88809
66 2XN5 FUN 2.88809
67 4KCF AKM 2.88809
68 5ABF XRJ 2.88809
69 5K52 OCD 3.01887
70 3W6X HZP 3.05677
71 4XPL ACO 3.06748
72 3IA4 MTX 3.08642
73 3NJQ NJQ 3.10881
74 2XHK AKG 3.15315
75 3U5S FAD 3.1746
76 4UYF 73B 3.24675
77 2D24 XYS XYS 3.2491
78 2HFK E4H 3.2491
79 4WZ6 ATP 3.2491
80 3S6X SIA GAL BGC 3.2491
81 3EVF GTA 3.2491
82 5IM3 DTP 3.2491
83 5F2T PLM 3.2491
84 3R9V DXC 3.2491
85 3B96 MYA 3.2491
86 2QV7 ADP 3.2491
87 3AQT RCO 3.26531
88 5UR6 8KM 3.31492
89 2W1A TSA 3.33333
90 3BXO UPP 3.34728
91 4WGF HX2 3.41463
92 3AI3 SOE 3.42205
93 4XBA GMP 3.5
94 1RLJ FMN 3.59712
95 4RC8 STE 3.6036
96 1J78 OLA 3.61011
97 2OBM ADP 3.61011
98 5AZC PGT 3.61011
99 5EE7 5MV 3.61011
100 5CQG 55C 3.61011
101 5V3Y 5V8 3.61011
102 3W54 RNB 3.61011
103 3PGU OLA 3.61011
104 2X24 X24 3.61011
105 4COL DTP 3.61011
106 1ZGS XMM 3.61011
107 6F6E PLM 3.61011
108 5B4B LP5 3.62903
109 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.76569
110 4V3I ASP LEU THR ARG PRO 3.89105
111 4O4Z N2O 3.8961
112 3AQA BYH 3.90625
113 4QEK GLC 3.97112
114 2FDW D3G 3.97112
115 3B99 U51 3.97112
116 4D1J DGJ 3.97112
117 1ZPD CIT 3.97112
118 4RQL SNE 3.97112
119 5XDR ADP 3.97112
120 4BA5 PXG 3.97112
121 4IDT T28 3.97112
122 4URN NOV 4
123 4UA3 COA 4.12371
124 1CZR FMN 4.14201
125 2HHP FLC 4.33213
126 5LX9 OLB 4.33213
127 4WBD CIT 4.33213
128 5KOD IAC 4.33213
129 5AHS COA 4.33213
130 5ZQS XYP 4.33213
131 6AC9 ANP 4.33213
132 3EE4 MYR 4.33213
133 3EWK FAD 4.40529
134 1EYQ NAR 4.5045
135 2GWH PCI 4.69314
136 2BCG GER 4.69314
137 2WDA L42 4.69314
138 5FJJ MAN 4.69314
139 5OKL PAM 4.69314
140 4ZBR NPS 4.69314
141 3FXU TSU 4.69314
142 4ZBR DIF 4.69314
143 6FAA ADP 4.69314
144 5I8F ML1 4.84848
145 3B5J 12D 4.93827
146 2BVE PH5 5.04202
147 3X01 AMP 5.05415
148 1Y4Z PCI 5.05415
149 5D3U TRP 5.05415
150 1OLM VTQ 5.05415
151 4OMJ 2TX 5.05415
152 4UYE 9F9 5.08475
153 2FPU HSO 5.11364
154 1AG9 FMN 5.14286
155 1JAY F42 5.18868
156 4NSQ COA 5.26316
157 5A7C 5D4 5.30973
158 5U9J GER 5.32544
159 4P7U 1PS 5.35714
160 3NBC LAT 5.40541
161 2JHP GUN 5.41516
162 5IUY BOG 5.41516
163 5M8T 0TR 5.41516
164 5OSW AE4 5.41516
165 5OSW DIU 5.41516
166 3T6E UQ9 5.41516
167 5GXU FMN 5.41516
168 4LJ3 C2E 5.41516
169 6G5J EM8 5.45455
170 5MF5 C2E 5.46875
171 5N26 CPT 5.49451
172 5G3N X28 5.51181
173 3B6C SDN 5.55556
174 5YX4 HCC 5.60345
175 3OGN 3OG 5.64516
176 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.77617
177 2A19 ANP 5.77617
178 4FRZ ADP 5.77617
179 1PFK ADP 5.77617
180 3UNG ADP 5.77617
181 1YQT ADP 5.77617
182 1W0J ADP 5.77617
183 4NTO 1PW 5.7971
184 2GJ3 FAD 5.83333
185 2BHW XAT 6.03448
186 2BHW NEX 6.03448
187 4EIL FOL 6.13718
188 3W5N RAM 6.13718
189 2X3J ATP 6.13718
190 1XPJ TLA 6.34921
191 4RYV ZEA 6.45161
192 4XCP PLM 6.47059
193 2C3Q GTX 6.47773
194 2RKN LP3 6.49351
195 4ELG 52J 6.62651
196 4H2D FMN 6.66667
197 1JR8 FAD 6.83761
198 5UGW GSH 6.85714
199 1TV5 N8E 6.85921
200 4NB5 2JT 7.01754
201 1OQC FAD 7.2
202 3MBI HSX 7.22022
203 6BR9 6OU 7.22022
204 4MRP GSH 7.22022
205 3I6B KDO 7.22222
206 2GTE VA 7.25806
207 4PTN PYR 7.28863
208 4ZGM 32M 7.37705
209 1YYE 196 7.46269
210 2QJY UQ2 7.48663
211 5G5W R8C 7.58123
212 4OUJ LBT 7.58123
213 5MWY YNU 7.58123
214 1NHZ 486 7.58123
215 3EJ0 11X 7.65306
216 2I0G I0G 7.7821
217 4GFD 0YB 7.80488
218 4F4S EFO 7.89474
219 6BR8 6OU 7.93651
220 6BR8 PGV 7.93651
221 5E70 RCD 7.94224
222 5C9J DAO 8.08081
223 4LSJ LSJ 8.13953
224 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 8.16327
225 1M2Z DEX 8.17121
226 5HCV 60R 8.17121
227 3BQD DAY 8.23529
228 4P6X HCY 8.23529
229 1U3R 338 8.29876
230 2A3I C0R 8.3004
231 5L7G 6QE 8.30325
232 4UDB CV7 8.30325
233 2QCX PF1 8.30325
234 3ANY 2A3 8.30325
235 4J24 EST 8.33333
236 3OLL EST 8.33333
237 4P6W MOF 8.33333
238 2GBB CIT 8.33333
239 5K9B FMN 8.33333
240 3LEO GSH 8.3871
241 3RY9 1CA 8.4
242 5LWY OLB 8.41121
243 3RMK BML 8.43373
244 1SR7 MOF 8.49421
245 3GD8 GOL 8.52018
246 4OAR 2S0 8.52713
247 4MGD 27N 8.62745
248 4MG8 27J 8.62745
249 4MG9 27K 8.62745
250 4TUZ 36J 8.62745
251 4MG7 27H 8.62745
252 4MGB XDH 8.62745
253 4MGA 27L 8.62745
254 2OCI TYC 8.66142
255 5W6Y TRP 8.66426
256 3UUA 0CZ 8.76494
257 4TV1 36M 8.76494
258 3UUD EST 8.76494
259 3UU7 2OH 8.76494
260 5YW5 ADE 8.93855
261 5TPX 7H7 8.94309
262 3NB0 G6P 9.02527
263 4IHQ ADP 9.02527
264 4FLP JQ1 9.2437
265 4WQ2 3SU 9.24856
266 2Q1H AS4 9.6
267 4E2J MOF 9.6
268 2HJ3 FAD 9.6
269 3GN8 DEX 9.63855
270 5UFS 1TA 9.67742
271 1KO8 6PG 9.71429
272 1MT1 AG2 9.73451
273 4PPF FLC 9.74729
274 1MID LAP 9.89011
275 3KO0 TFP 9.90099
276 1NF8 BOG 10.1449
277 4LO2 GAL BGC 10.2041
278 5OCA 9QZ 10.3175
279 5UC1 486 10.3604
280 5KK4 44E 10.4167
281 4OAS 2SW 10.4167
282 2GJ5 VD3 10.4938
283 1N13 AG2 10.6195
284 2QQC AG2 10.7143
285 4HBM 0Y7 10.8333
286 2PZE ATP 10.917
287 5ZCO PEK 11.1111
288 5Z84 PEK 11.1111
289 5ZCO CHD 11.1111
290 5Z84 CHD 11.1111
291 6FS0 E4W 11.3208
292 4R38 RBF 11.4286
293 1XVB 3BR 11.5523
294 1T0S BML 11.6279
295 1OW4 2AN 11.6279
296 1S17 GNR 11.6667
297 5M37 9SZ 11.7391
298 1E4I NFG 11.9134
299 2P1C GG3 11.9134
300 5W7B MYR 12.0567
301 6GR0 F8W 12.069
302 4WUJ FMN 12.2449
303 3L9R L9R 12.2449
304 3ZIA ADP 12.3188
305 4WT2 3UD 12.381
306 4V1T ADP 12.5
307 2ZJ5 ADP 12.6354
308 2VWA PTY 12.8713
309 4G86 BNT 12.9964
310 2ZQO NGA 13.0769
311 1RL4 BL5 13.2979
312 4B7H NDP 13.3574
313 3EYK EYK 13.3721
314 1YRE COA 13.7056
315 5OVV ACE ILE GLU SER THR GLU ILE 13.8211
316 3HY2 ATP 14.0777
317 4GA6 AMP 14.23
318 1M48 FRG 14.2857
319 4EXO PYR 14.3836
320 4X8D AVI 14.4404
321 4I67 G G G RPC 14.9425
322 6BMS POV 15.1625
323 2WC1 FMN 15.3846
324 1HBK MYR 15.7303
325 1G27 BB1 17.2619
326 4LAM 5CU 17.3285
327 3E2M E2M 17.8378
328 4YSX E23 18.0851
329 3O55 FAD 19.2
330 4OGQ UMQ 21.6216
331 4OGQ 7PH 21.6216
332 4OGQ SQD 21.6216
333 4OGQ 2WD 21.6216
334 3GWN FAD 23.6842
335 5NNT DPV 24.3243
336 5MWE TCE 28.5714
337 3V49 PK0 29.3233
338 3MBG FAD 31.6547
339 3JZB 4HY 32.5843
340 5LGA 6VH 35.0181
341 5E7V M7E 35.0181
342 4Q0A 4OA 35.0181
343 2R40 20E 35.3383
344 2R40 EPH 35.3383
345 4DK7 0KS 36.0324
346 3IPQ 965 36.1011
347 6FX0 E9T 36.1011
348 1M13 HYF 36.1011
349 3KFC 61X 36.7589
350 2O4J VD4 36.8231
351 1N46 PFA 37.2093
352 3VRV YSD 37.6384
353 5XPL 8C9 37.6384
354 3KMR EQN 37.9699
355 3KMZ EQO 37.9699
356 4DM8 REA 38.2022
357 5HYR EST 38.4615
358 5DXE EST 38.4615
359 5DXG EST 38.4615
360 3BEJ MUF 39.0756
361 3DCT 064 39.5745
362 3FAL REA 39.8496
363 3FAL LO2 39.8496
364 6ESN BWE 40.0749
365 3L0E G58 40.3162
366 3OKI OKI 40.3433
367 5APK 76E 40.3774
368 5NTW 98N 40.4669
369 5ICK FEZ 40.6114
370 3RUU 37G 40.6114
371 5NTP 98E 40.7563
372 5K13 6Q7 41.0569
373 4S15 4D8 41.6667
374 6A5Y 9CR 41.6667
375 6A5Y 9R0 41.6667
376 5IXK 6EW 41.6667
377 4OIV XX9 42.0354
378 2YJD YJD 46.1538
379 5WGD EST 50
Pocket No.: 2; Query (leader) PDB : 2P4Y; Ligand: C03; Similar sites found with APoc: 156
This union binding pocket(no: 2) in the query (biounit: 2p4y.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY None
2 4PYA 2X3 None
3 3MEH THP None
4 3M6P BB2 None
5 1OGX EQU None
6 5UC9 MYR 0.884956
7 5C8W PCG 1.3986
8 5XJ7 87O 1.49254
9 4U00 ADP 1.63934
10 4JP3 CIT 1.67364
11 6BXL SAM 1.80505
12 3FIU POP 2.00803
13 3L1N PLM 2.06186
14 3V1S 0LH 2.16606
15 3B9Q MLI 2.16606
16 5OLK DTP 2.16606
17 1XHL TNE 2.16606
18 5NM7 GLY 2.25564
19 4RW3 SHV 2.52708
20 3NHB ADP 2.52708
21 6C1R EFD 2.52708
22 2VD9 IN5 2.52708
23 6FBA D48 2.52708
24 4TO8 FLC 2.52708
25 5CSS G3P 2.65487
26 4EKQ NPO 2.6738
27 5ISY NAD 2.7027
28 4QO5 NAG 2.88809
29 2WPX ACO 2.88809
30 2Q8E OGA 2.88809
31 5K0S 0OU 2.88809
32 2WPW ACO 2.88809
33 4P3H 25G 3.10881
34 3ZLR X0B 3.16456
35 4ZGR NGA GAL 3.23887
36 5MUA GAL 3.2491
37 3GFZ FMN 3.2491
38 4F06 PHB 3.2491
39 3BLI PYR 3.2491
40 4HY1 19X 3.2491
41 2YDW WSH 3.26797
42 6D28 NEC 3.2967
43 3U3U EAH 3.43348
44 3TDC 0EU 3.61011
45 3B9Z CO2 3.61011
46 1VKJ A3P 3.61011
47 4NKW PLO 3.61011
48 2RJH DCS 3.61011
49 4AG9 COA 3.63636
50 1G3Q ADP 3.79747
51 4DOO DAO 3.90244
52 5C1M OLC 3.97112
53 2JC9 ADN 3.97112
54 2YCJ C2F 4.05904
55 2F2G HMH 4.0724
56 2Q4X HMH 4.0724
57 2D5X L35 4.10959
58 1CM0 COA 4.16667
59 5KAU RHQ 4.24242
60 3R9C ECL 4.33213
61 5A3Y VAL LYS 4.33213
62 3ZUY TCH 4.33213
63 2D8L UCD 4.33213
64 2PR5 FMN 4.54545
65 1TPY 16A 4.69314
66 5VOM 9GY 4.69799
67 1GNI OLA 5.05415
68 2WW4 ADP 5.05415
69 5YJS SAL 5.05415
70 1WMA AB3 5.07246
71 4JX1 CAH 5.30973
72 3G58 988 5.41516
73 3T50 FMN 5.46875
74 1SZO CAX 5.83658
75 2Y2B AH0 5.88235
76 2XMI FLC 5.88235
77 3RET SAL 5.94059
78 3RET PYR 5.94059
79 5GQI CTP 6.07287
80 5D9G GLU ASN LEU TYR PHE GLN 6.09756
81 1XNK XS2 6.12245
82 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 6.13718
83 2PX6 DH9 6.13718
84 3EZ2 ADP 6.13718
85 3ZJQ NCA 6.15385
86 5V4R MGT 6.17284
87 6GG9 FMN 6.17284
88 2Z6C FMN 6.20155
89 5MTE BB2 6.56934
90 1DTL BEP 6.8323
91 1GJW GLC 6.85921
92 2Z49 AMG 6.85921
93 2Z48 NGA 6.85921
94 4GCZ FMN 6.85921
95 4LWU 20U 7.05882
96 3O5N BR0 7.14286
97 3JUC PCA 7.18954
98 6BR9 PGV 7.22022
99 1DL2 NAG NAG BMA 7.22022
100 5LOF 70R 7.22022
101 3P7N FMN 7.22022
102 1SJD NPG 7.22022
103 4V2O CLQ 7.31707
104 3E3U NVC 7.61421
105 5UC4 83S 7.72727
106 1CT9 GLN 7.94224
107 5KOR GDP 7.94224
108 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 8
109 3DBX PLM 8.08081
110 5WL1 CUY 8.08081
111 5WL1 D3D 8.08081
112 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 8.16327
113 1M2Z BOG 8.17121
114 3UP3 XCA 8.23045
115 1YC4 43P 8.30325
116 2VEG PMM 8.30325
117 4TVD BGC 8.30325
118 4L77 CNL 8.30325
119 4J26 EST 8.33333
120 5TV6 PML 8.33333
121 5YZC 95C 8.51064
122 5CX6 CDP 8.66426
123 5OM2 DXT 8.66426
124 1XW6 GSH 8.7156
125 4YDX TCE 8.95522
126 3GWL FAD 9.43396
127 4G9N NGA 9.79021
128 1N8V BDD 9.82143
129 5IJJ I6P 9.89583
130 4MC3 28U 10.1083
131 5CHR 4NC 10.219
132 2CB8 MYA 10.3448
133 2CDN ADP 10.4693
134 2QQD AG2 10.7143
135 4HIA FMN 10.7955
136 3SE5 ANP 10.9756
137 5W97 CHD 11.1111
138 5ZCO PGV 11.1111
139 2Y69 CHD 11.1111
140 5MZI FYK 11.1913
141 5M36 9SZ 11.7904
142 3L9R L9Q 12.2449
143 4IBF 1D5 12.4031
144 5WRE 7TL 12.9032
145 4GAH 0ET 13.3971
146 1ZED PNP 13.7184
147 3THR C2F 15.1625
148 1RV1 IMZ 15.2941
149 3OPT AKG 16.9675
150 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 17.6471
151 4YSX EPH 18.0851
152 5SVV FMN 18.9781
153 1N9L FMN 22.0183
154 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 35.0181
155 5DX3 EST 38.4615
156 5WGQ EST 38.4615
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