Receptor
PDB id Resolution Class Description Source Keywords
3RY9 1.95 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE RESURRECTED ANCESTRAL GLUCOCORTICOI 1 IN COMPLEX WITH DOC ARTIFICIAL GENE RESURRECTED PROTEIN STEROID RECEPTOR NUCLEAR RECEPTOR COMANCESTOR EVOLUTION STEROID BINDING PROTEIN
Ref.: MECHANISMS FOR THE EVOLUTION OF A DERIVED FUNCTION ANCESTRAL GLUCOCORTICOID RECEPTOR. PLOS GENET V. 7 E1002 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1CA A:249;
B:250;
Valid;
Valid;
none;
none;
submit data
330.461 C21 H30 O3 C[C@]...
GOL A:248;
B:249;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA B:248;
Invalid;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RY9 1.95 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE RESURRECTED ANCESTRAL GLUCOCORTICOI 1 IN COMPLEX WITH DOC ARTIFICIAL GENE RESURRECTED PROTEIN STEROID RECEPTOR NUCLEAR RECEPTOR COMANCESTOR EVOLUTION STEROID BINDING PROTEIN
Ref.: MECHANISMS FOR THE EVOLUTION OF A DERIVED FUNCTION ANCESTRAL GLUCOCORTICOID RECEPTOR. PLOS GENET V. 7 E1002 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
70% Homology Family (83)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
2 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
3 2AMA - DHT C19 H30 O2 C[C@]12CCC....
4 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
5 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
6 4OEA - DHT C19 H30 O2 C[C@]12CCC....
7 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
8 2PIU - DHT C19 H30 O2 C[C@]12CCC....
9 2YLO - TES C19 H28 O2 C[C@]12CC[....
10 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
11 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
12 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
13 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
14 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
15 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
16 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
17 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
18 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
19 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
20 2QPY - DHT C19 H30 O2 C[C@]12CCC....
21 1T7T - DHT C19 H30 O2 C[C@]12CCC....
22 1Z95 Kd = 0.76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
24 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
25 3ZQT - TES C19 H28 O2 C[C@]12CC[....
26 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
27 2AM9 - TES C19 H28 O2 C[C@]12CC[....
28 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
29 2PIT - DHT C19 H30 O2 C[C@]12CCC....
30 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
31 1I38 - DHT C19 H30 O2 C[C@]12CCC....
32 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
33 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
34 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
35 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
36 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
37 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
38 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
39 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
40 2PIR - NK C7 H6 O2 c1ccc(c(c1....
41 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
42 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
43 2PKL - DHT C19 H30 O2 C[C@]12CCC....
44 2PIO - DHT C19 H30 O2 C[C@]12CCC....
45 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
46 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
47 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
48 2YLQ - TES C19 H28 O2 C[C@]12CC[....
49 1I37 - DHT C19 H30 O2 C[C@]12CCC....
50 2YLP - TES C19 H28 O2 C[C@]12CC[....
51 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
52 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
53 2AAX - PDN C21 H26 O5 C[C@]12CC(....
54 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
55 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
56 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
57 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
58 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
59 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
60 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
61 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
62 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
63 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
64 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
65 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
66 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
67 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
68 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
69 3D90 - NOG C21 H28 O2 CC[C@]12CC....
70 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
71 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
72 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
73 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
74 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
75 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
76 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
77 4LTW - STR C21 H30 O2 CC(=O)[C@H....
78 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
79 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
80 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
81 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
82 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
83 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
50% Homology Family (85)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
2 1XNN Ki = 0.5 nM HYQ C20 H18 N2 O4 c1ccc2c(c1....
3 2AMA - DHT C19 H30 O2 C[C@]12CCC....
4 2AX9 Ki = 0.3 nM BHM C11 H10 Br F3 N2 O4 C[C@](CBr)....
5 2AMB - 17H C21 H28 O2 CC[C@@]1(C....
6 4OEA - DHT C19 H30 O2 C[C@]12CCC....
7 3B67 - B67 C17 H10 F8 N2 O5 C[C@](COc1....
8 2PIU - DHT C19 H30 O2 C[C@]12CCC....
9 2YLO - TES C19 H28 O2 C[C@]12CC[....
10 2PNU - ENM C27 H36 F2 O3 C[C@]12CCC....
11 4HLW - 17W C15 H14 N2 O S c1ccc(cc1)....
12 2PIQ - RB1 C16 H19 N5 O CC(C)(C)n1....
13 2HVC - LGD C14 H9 F9 N2 O c1cc2c(cc1....
14 2OZ7 - CA4 C24 H29 Cl O4 CC(=O)[C@]....
15 3B65 - 3B6 C18 H14 I N3 O3 C[C@](COc1....
16 5CJ6 Ki = 2.03 nM 51Y C14 H17 Cl N2 O Cc1c(ccc(c....
17 4QL8 ic50 = 0.7 nM JAD C15 H16 Cl N3 O2 Cc1c(ccc(c....
18 3B5R - B5R C18 H13 Cl F4 N2 O3 C[C@](COc1....
19 2AX8 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
20 2QPY - DHT C19 H30 O2 C[C@]12CCC....
21 1T7T - DHT C19 H30 O2 C[C@]12CCC....
22 1Z95 Kd = 0.76 nM 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
23 3RLJ - RLJ C19 H14 F3 N3 O3 C[C@](COc1....
24 2AX7 - FHM C17 H14 F4 N2 O5 C[C@](COc1....
25 3ZQT - TES C19 H28 O2 C[C@]12CC[....
26 1GS4 - ZK5 C21 H29 F O5 C[C@]12CCC....
27 2AM9 - TES C19 H28 O2 C[C@]12CC[....
28 3B66 - B66 C18 H16 F3 N3 O5 C[C@](COc1....
29 2PIT - DHT C19 H30 O2 C[C@]12CCC....
30 3G0W Ki = 0.3 nM LGB C15 H13 Cl F3 N3 O2 Cc1c(ccc(c....
31 1I38 - DHT C19 H30 O2 C[C@]12CCC....
32 2PIP - ICO C9 H7 N O2 c1ccc2c(c1....
33 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
34 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
35 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
36 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
37 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
38 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
39 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
40 2PIR - NK C7 H6 O2 c1ccc(c(c1....
41 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
42 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
43 2PKL - DHT C19 H30 O2 C[C@]12CCC....
44 2PIO - DHT C19 H30 O2 C[C@]12CCC....
45 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
46 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
47 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
48 2YLQ - TES C19 H28 O2 C[C@]12CC[....
49 1I37 - DHT C19 H30 O2 C[C@]12CCC....
50 2YLP - TES C19 H28 O2 C[C@]12CC[....
51 3VHU ic50 = 49 nM SNL C24 H32 O4 S CC(=O)S[C@....
52 2AA5 - STR C21 H30 O2 CC(=O)[C@H....
53 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
54 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
55 2AAX - PDN C21 H26 O5 C[C@]12CC(....
56 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
57 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
58 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
59 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
60 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
61 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
62 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
63 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
64 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
65 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
66 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
67 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
68 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
69 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
70 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
71 3D90 - NOG C21 H28 O2 CC[C@]12CC....
72 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
73 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
74 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
75 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
76 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
77 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
78 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
79 4LTW - STR C21 H30 O2 CC(=O)[C@H....
80 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
81 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
82 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
83 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
84 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
85 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1CA; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 1CA 1 1
2 STR 0.732394 0.775
3 FFA 0.6 0.785714
4 TES 0.6 0.785714
5 3G6 0.580247 0.853659
6 TH2 0.55814 0.777778
7 C0R 0.552941 0.952381
8 DL4 0.544444 0.837209
9 K2B 0.511364 0.714286
10 ASD 0.487179 0.775
11 AS4 0.431579 0.928571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RY9; Ligand: 1CA; Similar sites found: 122
This union binding pocket(no: 1) in the query (biounit: 3ry9.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WBG 2AN 0.001326 0.42776 None
2 5HZ9 5M8 0.002982 0.41989 None
3 2QZT PLM 0.01204 0.40572 None
4 4XB4 45D 0.01009 0.40185 None
5 3EE4 MYR 0.0004707 0.45934 1.2
6 3D9F N6C 0.02385 0.41293 1.2
7 3D9F FAD 0.02385 0.41293 1.2
8 1QY8 RDI 0.004521 0.40451 1.6
9 3B99 U51 0.002754 0.40151 1.6
10 5D59 78M 0.02008 0.41024 2.4
11 2XXP DSL 0.038 0.41155 2.8
12 3G5D 1N1 0.04041 0.40223 2.8
13 4P3H 25G 0.006084 0.41168 3.10881
14 1T27 PCW 0.0235 0.40605 3.2
15 3GDN HBX 0.03019 0.40855 3.6
16 3GDN FAD 0.02945 0.40299 3.6
17 4BFW ZVW 0.01961 0.40707 4
18 3E85 BSU 0.0138 0.41437 4.43038
19 3GYT DL4 0.0007124 0.45517 4.5082
20 4WT2 3UD 0.003799 0.4287 4.7619
21 1YC4 43P 0.001203 0.41636 4.8
22 3F3E LEU 0.0207 0.40498 4.8
23 5UWA 8ND 0.008526 0.41525 4.92611
24 3L9R L9R 0.01746 0.4043 5.2
25 3L9R L9Q 0.02132 0.40022 5.2
26 4B7P 9UN 0.01981 0.41223 5.21739
27 5B4B LP5 0.006299 0.42134 5.24194
28 1UDY CS8 0.03828 0.40669 5.6
29 4F4P 0SB 0.02976 0.41091 5.86081
30 5O4J 9KH 0.01734 0.40554 6
31 5O4J SAH 0.01734 0.40554 6
32 5UR1 YY9 0.02532 0.40359 6
33 3VP6 HLD 0.01173 0.40201 6.4
34 4AZP A9M 0.01075 0.4022 6.52174
35 3LN0 52B 0.0234 0.41185 6.8
36 5HGR 45D 0.02027 0.40234 6.8
37 1EWF PC1 0.002681 0.4493 7.2
38 4LY9 S6P 0.01993 0.4121 7.6
39 4LY9 1YY 0.02071 0.4121 7.6
40 3GZ9 D32 0.0001483 0.50787 8
41 5DEY 59T 0.007334 0.43739 8
42 5CSD ACD 0.007769 0.42308 8.1761
43 2P4Y C03 0.00004608 0.54397 8.4
44 3KDU NKS 0.00006927 0.53319 8.4
45 3G9E RO7 0.00008833 0.51154 8.4
46 3ET3 ET1 0.00004442 0.5025 8.4
47 2PRG BRL 0.0001179 0.47899 8.4
48 3ET1 ET1 0.0003113 0.46062 8.4
49 3FEI CTM 0.0009916 0.44873 8.4
50 2P54 735 0.002084 0.43756 8.4
51 1K7L 544 0.002346 0.43523 8.4
52 3B1M KRC 0.003236 0.42216 8.4
53 2HFP NSI 0.004307 0.42008 8.4
54 3T03 3T0 0.002205 0.41783 8.4
55 4HEE 14R 0.00256 0.42478 9.2
56 3WYJ H78 0.04189 0.40712 9.2
57 2J07 FAD 0.02857 0.40757 9.6
58 2J07 HDF 0.02857 0.40757 9.6
59 1OLM VTQ 0.01105 0.40166 9.6
60 4BVM VCA 0.004593 0.41714 9.77444
61 4WPF 3SN 0.009366 0.40329 10.4
62 2NNQ T4B 0.01027 0.41947 10.687
63 1HN4 MJI 0.03831 0.40968 10.687
64 1BGQ RDC 0.006786 0.41575 10.8
65 5U98 1KX 0.03123 0.41051 11.1111
66 3HUJ AGH 0.03247 0.40407 11.1111
67 5BVT PAM 0.001964 0.42987 11.194
68 5L2J 6UL 0.0323 0.41288 11.2245
69 5L2J 70E 0.03405 0.41288 11.2245
70 1UVC STE 0.00412 0.4271 12.0879
71 1N83 CLR 0.01237 0.40095 12.8
72 2LBD REA 0.0002717 0.47584 15.2
73 3KMR EQN 0.0001591 0.47574 15.2
74 1FCZ 156 0.0002417 0.47624 16.1702
75 1XIU REA 0.0000007312 0.57519 18.2609
76 1YOK P6L 0.000005002 0.57302 21.2
77 1YUC EPH 0.00009185 0.49709 21.2
78 5UNJ RJW 0.00004227 0.49081 21.6327
79 1ZDU P3A 0.0001556 0.48863 21.6327
80 3BEJ MUF 0.000008902 0.53824 22.2689
81 3IPQ 965 0.00003487 0.52544 22.8
82 4QJR PIZ 0.00007341 0.50342 23.2653
83 1ZDT PEF 0.00008054 0.50346 24.0664
84 3QUZ QUV 0.03814 0.40208 24.2424
85 1YMT DR9 0.0001078 0.49948 24.3902
86 1YP0 PEF 0.0002648 0.47248 24.6862
87 4DK7 0KS 0.00006253 0.48216 25.1012
88 1DB1 VDX 0.0001315 0.50199 26
89 1M13 HYF 0.002012 0.4456 26
90 1NRL SRL 0.002926 0.42222 26
91 4DM8 REA 0.0002272 0.47545 26.9663
92 1XAP TTB 0.0001852 0.47513 26.9663
93 1HG4 LPP 0.0001858 0.48693 27.2401
94 1FBY REA 0.0000007364 0.58912 28.4519
95 1FM9 9CR 0.00000008489 0.62246 28.5714
96 1FM9 570 0.00052 0.47133 28.5714
97 1DKF BMS 0.000006691 0.54378 29.1845
98 1DKF OLA 0.00000236 0.5374 29.1845
99 4M8E 29V 0.00000004929 0.63895 29.4372
100 4POJ 2VP 0.00000009007 0.63005 29.4372
101 1PZL MYR 0.000002686 0.55057 29.5359
102 3OKI OKI 0.0001521 0.50861 29.6137
103 3DCT 064 0.00001946 0.52748 29.7872
104 3H0A 9RA 0.000000357 0.59192 29.8246
105 3H0A D30 0.008132 0.41216 29.8246
106 3FS1 MYR 0.000003765 0.53686 30.4348
107 3RUU 37G 0.000007007 0.55374 30.5677
108 5ICK FEZ 0.0004454 0.45613 30.5677
109 4OIV XX9 0.007111 0.4281 32.3009
110 2I0G I0G 0.000000001631 0.76089 32.8
111 1YYE 196 0.00000000004533 0.72738 32.8
112 1G2N EPH 0.0001844 0.48151 34
113 1U3R 338 0.00000000005422 0.75516 34.0249
114 2E2R 2OH 0.0000000001288 0.78614 34.8361
115 2QZO KN1 0.00000000009396 0.74892 41.2
116 3UUD EST 0.00000000001968 0.74101 41.2
117 2QA8 GEN 0.00000000004234 0.72834 41.2
118 2BJ4 OHT 0.0000000007349 0.71348 41.2
119 5AAV GW5 0.00000002088 0.71257 41.2
120 3UUA 0CZ 0.000000006139 0.61285 41.2
121 3UU7 2OH 0.00000000189 0.59395 41.2
122 2QE4 JJ3 0.000000008837 0.72662 41.5323
Pocket No.: 2; Query (leader) PDB : 3RY9; Ligand: 1CA; Similar sites found: 30
This union binding pocket(no: 2) in the query (biounit: 3ry9.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TWP AXI 0.04458 0.40574 1.2
2 2GFD RDA 0.01099 0.40176 1.69492
3 1ESM COA 0.008581 0.40816 2.4
4 3E8T UQ8 0.03641 0.40517 2.72727
5 4U0I 0LI 0.01245 0.40763 2.8
6 4AG8 AXI 0.01252 0.41221 4.4
7 5AE2 FAD 0.04238 0.41072 4.4
8 5AE2 FYC 0.04238 0.41072 4.4
9 1EU8 TRE 0.01165 0.40062 4.4
10 3IX8 TX3 0.01387 0.40015 4.62428
11 3Q8G PEE 0.02268 0.41473 4.8
12 2ART LPA AMP 0.00657 0.42651 5.2
13 5O4J PJL 0.01631 0.40569 6
14 5JKG 6LF 0.02236 0.40238 6
15 3WHB DCC 0.01811 0.40465 6.70103
16 1UUO ORO 0.03253 0.40762 6.8
17 1UUO FMN 0.03253 0.40762 6.8
18 1UUO BRF 0.03511 0.4073 6.8
19 3MBG FAD 0.01357 0.40058 7.91367
20 2BTO GTP 0.008169 0.40913 9.25926
21 4IGH 1EA 0.02348 0.4205 10.4
22 4IGH FMN 0.02348 0.4205 10.4
23 4IGH ORO 0.02348 0.4205 10.4
24 3V66 D3A 0.02288 0.4048 12
25 1QV1 CZH 0.01432 0.40225 12.3077
26 3N7H DE3 0.03766 0.40235 13.6
27 3D78 NBB 0.01746 0.4054 18.4874
28 1JR8 FAD 0.01073 0.40064 21.3675
29 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.045 0.40611 24.2424
30 3G08 FEE 0.03849 0.40328 24.2424
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