-->
Receptor
PDB id Resolution Class Description Source Keywords
5L7H 1.84 Å NON-ENZYME: SIGNAL_HORMONE MCR IN COMPLEX WITH LIGAND HOMO SAPIENS MINERALOCORTICOID RECEPTOR 2 SIGNALING PROTEIN
Ref.: STRUCTURE-BASED DRUG DESIGN OF MINERALOCORTICOID RE ANTAGONISTS TO EXPLORE OXOSTEROID RECEPTOR SELECTIV CHEMMEDCHEM V. 12 50 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6QG A:1101;
Valid;
none;
Ki = 50 nM
398.475 C21 H22 N2 O4 S Cc1c-...
NHE A:1102;
Invalid;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
LYS SER LEU LEU GLN GLN LEU LEU THR GLU B:1432;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
1157.4 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L7G 2.01 Å NON-ENZYME: SIGNAL_HORMONE MCR IN COMPLEX WITH LIGAND HOMO SAPIENS MINERALOCORTICOID RECEPTOR 2 SIGNALING PROTEIN
Ref.: STRUCTURE-BASED DRUG DESIGN OF MINERALOCORTICOID RE ANTAGONISTS TO EXPLORE OXOSTEROID RECEPTOR SELECTIV CHEMMEDCHEM V. 12 50 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
2 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
3 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
70% 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 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 5VO4 ic50 = 3.2 nM 9FG C12 H9 F N2 O Cn1c(ccc1c....
34 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
35 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
36 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
37 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
38 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
39 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
40 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
41 2PIR - NK C7 H6 O2 c1ccc(c(c1....
42 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
43 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
44 2PKL - DHT C19 H30 O2 C[C@]12CCC....
45 2PIO - DHT C19 H30 O2 C[C@]12CCC....
46 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
47 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
48 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
49 2YLQ - TES C19 H28 O2 C[C@]12CC[....
50 1I37 - DHT C19 H30 O2 C[C@]12CCC....
51 2YLP - TES C19 H28 O2 C[C@]12CC[....
52 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
53 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
54 2AAX - PDN C21 H26 O5 C[C@]12CC(....
55 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
56 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
57 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
58 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
59 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
60 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
61 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
62 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
63 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
64 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
65 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
66 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
67 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
68 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
69 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
70 3D90 - NOG C21 H28 O2 CC[C@]12CC....
71 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
72 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
73 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
74 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
75 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
76 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
77 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
78 4LTW - STR C21 H30 O2 CC(=O)[C@H....
79 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
80 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
81 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
82 5UC1 - 486 C29 H35 N O2 CC#C[C@@]1....
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....
50% Homology Family (87)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 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 5VO4 ic50 = 3.2 nM 9FG C12 H9 F N2 O Cn1c(ccc1c....
34 1E3G - R18 C19 H24 O2 C[C@@]1(CC....
35 3RLL - RLL C23 H16 F3 N3 O3 C[C@](COc1....
36 2AXA Ki = 6.1 nM FHM C17 H14 F4 N2 O5 C[C@](COc1....
37 2IHQ Ki = 3.2 nM LG7 C17 H13 N3 O3 c1ccc2c(c1....
38 3B68 - B68 C19 H18 F3 N3 O6 CC(=O)Nc1c....
39 2PIV - T3 C15 H12 I3 N O4 c1cc(c(cc1....
40 2PIX - FLF C14 H10 F3 N O2 c1ccc(c(c1....
41 2PIR - NK C7 H6 O2 c1ccc(c(c1....
42 2YHD Ki = 23 uM AV6 C17 H14 N2 O2 c1cc2cccc3....
43 2AX6 - HFT C11 H11 F3 N2 O4 CC(C)(C(=O....
44 2PKL - DHT C19 H30 O2 C[C@]12CCC....
45 2PIO - DHT C19 H30 O2 C[C@]12CCC....
46 1XQ3 - R18 C19 H24 O2 C[C@@]1(CC....
47 5V8Q ic50 = 3.6 nM 97A C14 H13 F3 N2 O2 CC[C@H]1[C....
48 4OJB - 198 C18 H14 F4 N2 O4 S C[C@](CS(=....
49 2YLQ - TES C19 H28 O2 C[C@]12CC[....
50 1I37 - DHT C19 H30 O2 C[C@]12CCC....
51 2YLP - TES C19 H28 O2 C[C@]12CC[....
52 3VHU ic50 = 49 nM SNL C24 H32 O4 S CC(=O)S[C@....
53 2AA5 - STR C21 H30 O2 CC(=O)[C@H....
54 3VHV ic50 = 510 nM LD1 C18 H13 N5 O2 S c1ccc(cc1)....
55 1YA3 - STR C21 H30 O2 CC(=O)[C@H....
56 2AAX - PDN C21 H26 O5 C[C@]12CC(....
57 2AA7 - 1CA C21 H30 O3 C[C@]12CC[....
58 4PF3 ic50 = 71 nM HFN C21 H18 F3 N3 O3 Cc1c(c(n(n....
59 2AB2 - SNL C24 H32 O4 S CC(=O)S[C@....
60 2AA2 - AS4 C21 H28 O5 C[C@]12CCC....
61 5HCV Ki = 2 nM 60R C23 H16 F N O3 c1ccc2c(c1....
62 2OAX - SNL C24 H32 O4 S CC(=O)S[C@....
63 1Y9R - 1CA C21 H30 O3 C[C@]12CC[....
64 2AA6 - STR C21 H30 O2 CC(=O)[C@H....
65 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
66 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
67 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
68 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
69 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
70 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
71 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
72 3D90 - NOG C21 H28 O2 CC[C@]12CC....
73 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
74 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
75 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
76 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
77 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
78 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
79 1NHZ - 486 C29 H35 N O2 CC#C[C@@]1....
80 4LTW - STR C21 H30 O2 CC(=O)[C@H....
81 2Q1H - AS4 C21 H28 O5 C[C@]12CCC....
82 2Q3Y - PRO ALA ILE LEU TYR ALA LEU LEU SER SER n/a n/a
83 2Q1V - PDN C21 H26 O5 C[C@]12CC(....
84 5UC1 - 486 C29 H35 N O2 CC#C[C@@]1....
85 5L7H Ki = 50 nM 6QG C21 H22 N2 O4 S Cc1c-2c(on....
86 5L7E Ki = 0.25 uM 6Q0 C18 H18 N2 O3 S Cc1c(c(on1....
87 5L7G Ki = 16 nM 6QE C22 H22 F2 N2 O4 S Cc1c(c(on1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6QG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6QG 1 1
Ligand no: 2; Ligand: LYS SER LEU LEU GLN GLN LEU LEU THR GLU; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 1 1
2 LYS LEU VAL GLN LEU LEU THR THR THR 0.656566 0.958333
3 SER LEU SER GLN SER LEU SER GLN SER 0.530612 0.895833
4 PHE LEU SER THR LYS 0.527273 0.882353
5 LYS THR LYS LEU LEU 0.51 0.9375
6 ASN LEU LEU GLN LYS LYS 0.509615 0.836735
7 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.495935 0.810345
8 ASN SER THR LEU GLN 0.495146 0.877551
9 SER LEU LEU LYS LYS LEU LEU ASP 0.49505 0.979167
10 ACE ASP LEU GLN THR SER ILE 0.490909 0.88
11 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.487179 0.851852
12 ACE GLN LEU VAL THR SER LEU 0.485714 0.897959
13 ACE VAL LYS GLU SER LEU VAL 0.481481 0.9375
14 LEU ALA SER LEU GLU SER GLN SER 0.481132 0.916667
15 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.47619 0.836735
16 SER LEU LYS ILE ASP ASN GLU ASP 0.47541 0.901961
17 GLU ALA THR GLN LEU MET ASN 0.474138 0.807692
18 ALA LYS ALA SER GLN ALA ALA 0.471698 0.875
19 CYS THR GLU LEU LYS LEU SER ASP TYR 0.469231 0.854545
20 THR LYS ASN TYR LYS GLN THR SER VAL 0.46875 0.854545
21 LYS SER HIS GLN GLU 0.461538 0.724138
22 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.459016 0.921569
23 ALA THR LYS ILE ASP ASN LEU ASP 0.458333 0.901961
24 ALA ARG THR LYS GLN THR ALA ARG LYS 0.458333 0.814815
25 LEU LYS THR LYS LEU LEU 0.457143 0.9375
26 TYR GLN SER LYS LEU 0.45614 0.851852
27 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.454545 0.630769
28 SER LEU LYS LEU MET THR THR VAL 0.451327 0.884615
29 SER LEU LYS ILE ASP ASN LEU ASP 0.45 0.901961
30 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.445205 0.703125
31 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.444444 0.87037
32 ALA ARG THR LYS GLN THR ALA ARG 0.442478 0.796296
33 SER ASP LYS ILE ASP ASN LEU ASP 0.441667 0.901961
34 ALA LEU LYS ILE ASP ASN LEU ASP 0.440678 0.843137
35 LYS LEU LEU PHE 0.438095 0.72549
36 LYS GLN THR SER VAL 0.435644 0.895833
37 ASP GLU THR ASN LEU 0.432432 0.82
38 ALA ASP LYS ILE ASP ASN LEU ASP 0.432203 0.843137
39 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.431034 0.901961
40 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.428571 0.821429
41 LYS GLN LYS 0.427083 0.770833
42 ILE LYS LEU GLU THR LYS LYS THR LYS LEU 0.425926 0.94
43 ALA ILE GLU THR ASA 0.424528 0.816327
44 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.421569 0.916667
45 ASP LEU LYS ILE ASP ASN LEU ASP 0.421488 0.843137
46 SER ALA LYS ILE ASP ASN LEU ASP 0.420635 0.901961
47 ALA LYS GLU LYS SER ASP 0.419048 0.916667
48 LYS ALA SER VAL GLY 0.419048 0.916667
49 GLU GLN TYR LYS PHE TYR SER VAL 0.418605 0.821429
50 TYR ASP GLN ILE IL0 ILE GLU 0.418033 0.698113
51 ARG GLU ASP GLN GLU THR ALA VAL 0.417391 0.854167
52 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.417219 0.666667
53 LYS LEU LYS 0.416667 0.833333
54 GLU ALA GLN THR ARG LEU 0.414634 0.814815
55 LYS SER LYS THR CMT GER 0.414634 0.854545
56 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.411765 0.732143
57 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.410448 0.661017
58 LYS SER ALA TPO THR THR VAL MET ASN PRO 0.410256 0.785714
59 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.408163 0.754098
60 SER LEU LYS ILE ASP ASN MET ASP 0.407692 0.836364
61 SER ARG LYS ILE ASP ASN LEU ASP 0.406015 0.824561
62 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.40566 0.916667
63 ALA ILE PHE GLN SER SER MET THR LYS 0.404412 0.839286
64 ALA ARG THR GLU LEU TYR ARG SER LEU 0.404412 0.783333
65 THR ARG ARG GLU THR GLN LEU 0.403361 0.851852
66 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.40146 0.716667
67 GLY ASP GLU GLU THR GLY GLU 0.4 0.857143
68 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.4 0.741379
69 LYS SER LYS 0.4 0.854167
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L7G; Ligand: 6QE; Similar sites found with APoc: 383
This union binding pocket(no: 1) in the query (biounit: 5l7g.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3RV5 DXC None
2 1UO5 PIH None
3 1DTL BEP None
4 5X13 HC4 None
5 3KP6 SAL None
6 3P9T TCL None
7 5NNT DPV None
8 6EIZ FOH None
9 1UO4 PIH None
10 4BVM PLM None
11 4WG0 CHD None
12 2P7Q GG6 None
13 5N8V KZZ None
14 4BVM VCA None
15 5BV6 35G None
16 1ONI BEZ None
17 4XU6 TDA 0.655738
18 3JRS A8S 0.961538
19 1J78 OLA 0.983607
20 1XZ3 ICF 1.14943
21 5D9G GLU ASN LEU TYR PHE GLN 1.21951
22 6A0S NDP 1.31148
23 3B99 U51 1.31148
24 3KC1 2T6 1.31148
25 4ETZ C2E 1.3468
26 3QP6 HL6 1.50943
27 5IUY BOG 1.63934
28 6GK6 MYR 1.63934
29 3W5N RAM 1.63934
30 3GUZ PAF 1.70455
31 5FUS DAO 1.74216
32 1DRJ RIP 1.84502
33 4DE3 DN8 1.90114
34 6CB2 OLC 1.96721
35 6DIO CIT 1.96721
36 6D28 NEC 1.96721
37 4DXJ 0M9 1.96721
38 2O1V ADP 1.96721
39 5J32 IPM 1.96721
40 3ETG GTP 1.96721
41 6FK6 DOK 1.96721
42 3GXO MQA 1.96721
43 5FPN KYD 1.96721
44 1XMY ROL 1.96721
45 2OZ5 7XY 2.02703
46 5OCM 9RH 2.06186
47 5F5R ANP 2.10084
48 5EY0 GTP 2.18978
49 3QP4 HL0 2.1978
50 3NMV PYV 2.24719
51 5NM7 GLY 2.25564
52 3O01 DXC 2.29508
53 1A05 IPM 2.29508
54 4GVF NAG 2.29508
55 4GVF NDG 2.29508
56 5LIA 6XN 2.29508
57 6EWZ GTP 2.29508
58 3HPY MCT 2.29508
59 3F3E LEU 2.29508
60 4K7O EKZ 2.38095
61 4IN9 SER TRP PHE PRO 2.40964
62 2C3Q GTX 2.42915
63 3AQT RCO 2.44898
64 3TL1 JRO 2.51572
65 4F4P 0SB 2.5641
66 4O4Z N2O 2.5974
67 5M37 9SZ 2.6087
68 3PMD 11A 2.61438
69 1ZED PNP 2.62295
70 5OKL PAM 2.62295
71 3X01 AMP 2.62295
72 3TKY N7I 2.62295
73 4L77 CNL 2.62295
74 5OLK DTP 2.62295
75 4A01 2PN 2.62295
76 5AZC PGT 2.62295
77 1MFI FHC 2.63158
78 2OHV NHL 2.65152
79 2GWH PCI 2.68456
80 4UMJ BFQ 2.7027
81 3QP8 HL0 2.71739
82 2IOY RIP 2.82686
83 2Z77 NCA 2.8777
84 4WGF HX2 2.92683
85 2HHP FLC 2.95082
86 1EWF PC1 2.95082
87 3GFZ FMN 2.95082
88 3V66 D3A 2.95082
89 2D09 FLV 2.95082
90 5IM3 DTP 2.95082
91 5UWA 8ND 2.95567
92 2BHW NEX 3.01724
93 2BHW XAT 3.01724
94 1Q3A NGH 3.0303
95 2QCX PF1 3.04183
96 5D9X GSH 3.04348
97 5KBE IPH 3.05677
98 3L1N PLM 3.09278
99 1BGQ RDC 3.11111
100 4MA6 28E 3.18471
101 4RYV ZEA 3.22581
102 3EE4 MYR 3.27869
103 5MOB A8S 3.27869
104 4RW3 TDA 3.31126
105 2UXI G50 3.33333
106 5DEY 59T 3.367
107 4XUB 43D 3.4188
108 4EXO PYR 3.42466
109 1X0P FAD 3.4965
110 3RT4 LP5 3.50877
111 1H70 CIR 3.52941
112 1MT1 AG2 3.53982
113 1N13 AG2 3.53982
114 3RJ5 NAD 3.54331
115 2QQC AG2 3.57143
116 3ZQE DXC 3.60656
117 1ZPD CIT 3.60656
118 5B0I BOG 3.60656
119 1Q9I FAD 3.60656
120 1Q9I TEO 3.60656
121 1DMH MCT 3.60656
122 3WSG CIT 3.60656
123 3NJQ NJQ 3.62694
124 4P3H 25G 3.62694
125 5CHR 4NC 3.64964
126 1DQE BOM 3.64964
127 5X80 SAL 3.75
128 2AOT 2PM 3.76712
129 3WBG 2AN 3.92157
130 5U97 PIT 3.93443
131 1YKD CMP 3.93443
132 3NB0 G6P 3.93443
133 4IA6 EIC 3.93443
134 3KB9 BTM 3.93443
135 3OID TCL 3.93443
136 5B25 4QJ 3.93443
137 2VWA PTY 3.9604
138 1Q7E MET 3.97196
139 2WOR 2AN 4
140 3BPX SAL 4.05405
141 2F2G HMH 4.0724
142 2Q4X HMH 4.0724
143 5UC4 83S 4.09091
144 1RL4 BL5 4.25532
145 1RL4 BRR 4.25532
146 4DS8 A8S 4.2623
147 5OSW DIU 4.2623
148 4LY9 1YY 4.2623
149 4LY9 S6P 4.2623
150 3OG9 MLT 4.30622
151 5TVI MYR 4.34783
152 5TVI O8N 4.34783
153 6BR8 6OU 4.36508
154 6BR8 PGV 4.36508
155 5MTE BB2 4.37956
156 5X3R 7Y3 4.39024
157 1WEI ADE 4.44444
158 5HZ9 5M8 4.44444
159 4FHT DHB 4.4586
160 5XQL C2E 4.46735
161 5XJ7 87O 4.47761
162 4G86 BNT 4.57746
163 3B9Z CO2 4.59016
164 3WCA FPS 4.59016
165 5IKR ID8 4.59016
166 3R1V AZB 4.72441
167 1TW4 CHD 4.8
168 2JAP J01 4.8583
169 5JO1 6LM 4.86486
170 4DOO DAO 4.87805
171 4URN NOV 4.88889
172 5EEH P9P 4.91803
173 3KDJ A8S 4.91803
174 2PX6 DH9 4.91803
175 5KOD IAC 4.91803
176 4B1V LAB 4.91803
177 4BE9 7P9 4.91803
178 1SBR VIB 5
179 5CSD ACD 5.03145
180 3G08 FEE 5.05051
181 4V3I ASP LEU THR ARG PRO 5.05837
182 5UGW GSH 5.14286
183 3WBZ ATP 5.16605
184 2QJY UQ2 5.20446
185 4OIC A8S 5.2459
186 2IOR ADP 5.2459
187 3UP3 XCA 5.34979
188 2CIX CEJ 5.35117
189 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.43933
190 1MID LAP 5.49451
191 2YLD CMO 5.51181
192 4D1J DGJ 5.57377
193 1GJW GLC 5.57377
194 3JRX S1A 5.57377
195 5UTQ OAN 5.57377
196 2WTN FER 5.57769
197 3E3U NVC 5.58376
198 3B12 FAH 5.59211
199 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 5.71429
200 1T0S BML 5.81395
201 4I90 CHT 5.90164
202 1TV5 N8E 5.90164
203 6MVU K4V 5.90164
204 4C9G CXT 5.90164
205 3RET PYR 5.94059
206 3RET SAL 5.94059
207 3QYY C2E 5.98802
208 4MRP GSH 6.22951
209 6BVJ EAS 6.22951
210 6BVL EBY 6.22951
211 6BVI EC4 6.22951
212 2A1L PCW 6.2963
213 2HZL PYR 6.30137
214 2BCG GER 6.31068
215 5NXX 3Q7 6.34328
216 4OB1 BUB 6.43777
217 5W7B MYR 6.55738
218 1XVB 3BR 6.55738
219 2UW1 GVM 6.55738
220 3HP9 CF1 6.55738
221 3PUR 2HG 6.55738
222 4QXB OGA 6.55738
223 4B8V NDG NAG NAG NAG 6.57895
224 4URG C2E 6.58683
225 5BXV MGP 6.77083
226 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.80272
227 1EJH M7G 6.84211
228 1EJ4 M7G 6.84211
229 3W54 RNB 6.88525
230 4RKK GLC GLC GLC GLC GLC GLC 6.88525
231 4NKW PLO 6.88525
232 5C9J DAO 7.07071
233 5WL1 D3D 7.07071
234 5WL1 CUY 7.07071
235 1N8V BDD 7.14286
236 5Z1N PEF 7.14286
237 3K60 ADP 7.17489
238 5BQS 4VN 7.21311
239 2OCI TYC 7.21311
240 1MRH FMC 7.21311
241 1K7L 544 7.29167
242 5V03 658 7.38255
243 3GZ9 D32 7.43494
244 1FX8 BOG 7.47331
245 5HWK BEZ 7.5
246 5UC9 MYR 7.52212
247 4E70 N7I 7.54098
248 4RJD TFP 7.57576
249 4OB0 PBC 7.61905
250 5N26 CPT 7.69231
251 2RKN LP3 7.79221
252 3KPE TM3 7.84314
253 2VPY PCI 7.86885
254 5AE2 FYC 7.86885
255 5AE2 FAD 7.86885
256 3ET3 ET1 7.87671
257 2ET1 GLV 7.9602
258 1JGS SAL 7.97101
259 6B5Q PPI CZS 2KY MLY 1XY 8
260 6AD9 KK4 8.01394
261 3T03 3T0 8.09859
262 3B1M KRC 8.12721
263 4HEE 14R 8.15603
264 2HFP NSI 8.15603
265 1RV1 IMZ 8.23529
266 2P4Y C03 8.30325
267 2XCM ADP 8.41121
268 3G9E RO7 8.48709
269 2PRG BRL 8.48709
270 2BP1 FLC 8.52459
271 1TUU AMP 8.52459
272 6AYI C3G 8.54271
273 3F8C HT1 8.73016
274 4Y9J UCC 8.85246
275 1HBK MYR 8.98876
276 1NF8 BOG 9.17874
277 5V49 MET 9.18033
278 3KFF ZBT 9.25926
279 3KFF XBT 9.25926
280 1XX4 BAM 9.5082
281 4EKQ NPO 9.62567
282 2WG9 OCA 10
283 5MWE TCE 10
284 3EC1 GDP 10.1639
285 3RMK BML 10.1639
286 1N4H REA 10.4247
287 3HYW DCQ 10.4918
288 2RH1 CLR 10.4918
289 2RH1 CAU 10.4918
290 4XCP PLM 10.5882
291 5CXI 5TW 10.8374
292 1YOK P6L 10.9375
293 5W97 CHD 10.9589
294 5Z84 CHD 10.9589
295 5ZCO CHD 10.9589
296 1NQ7 ARL 11.0656
297 1N83 CLR 11.1111
298 1ZDU P3A 11.4286
299 5UNJ RJW 11.4286
300 4FLP JQ1 11.7647
301 5N17 8FK 12.3188
302 6AYH C3G 12.4378
303 3ROE THM 12.4528
304 2WT9 NIO 12.766
305 3G4Q MCH 13.0137
306 3GWN FAD 13.1579
307 3MN5 LAB 13.1579
308 5OCA 9QZ 13.4921
309 1YC4 43P 13.6364
310 5Y02 HBX 14.0187
311 5Y02 MXN 14.0187
312 2XN3 ID8 14.0984
313 2GBB CIT 14.1026
314 2Q8G AZX 14.4262
315 2CB8 MYA 14.9425
316 1M13 HYF 15.4098
317 1NRL SRL 15.4098
318 1NU4 MLA 15.4639
319 1ECM TSA 15.5963
320 4B7P 9UN 15.6522
321 2YI0 YI0 15.7205
322 5M36 9SZ 15.7895
323 4V2O CLQ 15.8537
324 5LXT 7AK 16.7213
325 5LXT GDP 16.7213
326 5NI5 8YB 17.3611
327 5XNA SHV 17.3913
328 2Y69 CHD 17.5
329 4WPF 3SN 19.3182
330 2LBD REA 21.3483
331 4H07 IPH 22.0779
332 1XAP TTB 22.0974
333 4DM8 REA 22.0974
334 3KMR EQN 22.5564
335 4V1F BQ1 23.2558
336 3ET1 ET1 23.2787
337 3KO0 TFP 23.7624
338 4QJR PIZ 24.0816
339 1FCZ 156 24.2553
340 1ZDT PEF 24.4813
341 4YMU ARG 24.5455
342 3KDU NKS 25.6318
343 1DB1 VDX 26.2548
344 3FEI CTM 26.5918
345 2P54 735 26.5918
346 4DK7 0KS 28.3401
347 1YYE 196 29.4776
348 1YP0 PEF 29.7071
349 3BEJ MUF 30.6723
350 1YMT DR9 30.8943
351 3OKI OKI 30.9013
352 3DCT 064 31.0638
353 3IPQ 965 31.0954
354 1PZL MYR 31.2236
355 3RUU 37G 31.8777
356 5ICK FEZ 31.8777
357 2QA8 GEN 32.1705
358 2QZO KN1 32.1705
359 3FS1 MYR 32.1739
360 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 32.1739
361 2E2R 2OH 32.377
362 1G2N EPH 32.5758
363 2BJ4 OHT 32.9365
364 5AAV GW5 32.9365
365 3UUD EST 33.0677
366 3UU7 2OH 33.0677
367 3UUA 0CZ 33.0677
368 1HG4 LPP 33.3333
369 2QE4 JJ3 33.4677
370 4OGQ 7PH 34.4828
371 4OGQ UMQ 34.4828
372 4OGQ 2WD 34.4828
373 1FM9 9CR 35.7143
374 1FM9 570 35.7143
375 4OIV XX9 35.8407
376 1DKF OLA 36.4807
377 1DKF BMS 36.4807
378 4M8E 29V 36.7965
379 4POJ 2VP 36.7965
380 2I0G I0G 36.965
381 3H0A 9RA 37.2807
382 3H0A D30 37.2807
383 1U3R 338 39.4191
Pocket No.: 2; Query (leader) PDB : 5L7G; Ligand: LYS SER LEU LEU GLN GLN LEU LEU THR GLU; Similar sites found with APoc: 202
This union binding pocket(no: 2) in the query (biounit: 5l7g.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 5NNT DPV None
3 1UO4 PIH None
4 6CHP F0Y None
5 4F4S EFO None
6 5DKK FMN None
7 6CS9 PIO None
8 3KP6 SAL None
9 1DTL BEP None
10 3RV5 DXC None
11 1XZ3 ICF 1.14943
12 4RC8 STE 1.35135
13 4GFD 0YB 1.46341
14 3LLI FAD 1.53257
15 4DR9 BB2 1.5625
16 1LQY BB2 1.63043
17 4I4B NAD 1.96721
18 6CB2 OLC 1.96721
19 4O33 TZN 1.96721
20 4O33 3PG 1.96721
21 3ETG GWD 1.96721
22 4KWD JF2 1.96721
23 3QCJ NX4 1.96721
24 4R38 RBF 2.14286
25 3O01 DXC 2.29508
26 4DHY S41 2.29508
27 5XDT GDP 2.29508
28 1IOW PHY 2.29508
29 2Z6D FMN 2.30769
30 3OJF IMJ 2.33463
31 1KPG 16A 2.43902
32 3SFI 3SF 2.54237
33 1QV1 CZH 2.5641
34 4BNU 9KQ 2.60223
35 3TDC 0EU 2.62295
36 2YFB SIN 2.62295
37 5AZC PGT 2.62295
38 1ZED PNP 2.62295
39 2GWH PCI 2.68456
40 4UMJ BFQ 2.7027
41 2D5X L35 2.73973
42 4WGF HX2 2.92683
43 3V66 D3A 2.95082
44 2YNC YNC 2.95082
45 5UWA 8ND 2.95567
46 1G27 BB1 2.97619
47 3U3U EAH 3.00429
48 4ELG 52J 3.01205
49 4ELG 52I 3.01205
50 5FH7 5XL 3.22581
51 3EE4 MYR 3.27869
52 3CV2 COA 3.27869
53 4RW3 PLM 3.31126
54 1S17 GNR 3.33333
55 4WUJ FMN 3.40136
56 3T6E UQ9 3.48837
57 5B0I BOG 3.60656
58 3HB5 E2B 3.66972
59 6GG9 FMN 3.7037
60 1CMC SAM 3.84615
61 5LJ0 6XX 3.84615
62 5U97 PIT 3.93443
63 2XXP DSL 3.93443
64 1P1M MET 3.93443
65 5K53 STE 3.93443
66 3ICS COA 3.93443
67 2VWA PTY 3.9604
68 1Z3C SA8 4.02685
69 3KPX CZH 4.0404
70 2WUF KEM 4.12371
71 1RL4 BL5 4.25532
72 3D9F N6C 4.2623
73 3D9F FAD 4.2623
74 2XCG XCG 4.2623
75 2WKQ FMN 4.2623
76 5LOF 70R 4.2623
77 2OKL BB2 4.32432
78 4G31 0WH 4.34783
79 1RQJ RIS 4.34783
80 6BR8 PGV 4.36508
81 5MTE BB2 4.37956
82 4NAT ADP 4.59016
83 3B9Z CO2 4.59016
84 3WCA FPS 4.59016
85 6CI9 NAP 4.6332
86 3SE5 ANP 4.87805
87 2C78 PUL 4.91803
88 3MBG FAD 4.91803
89 1SBR VIB 5
90 5CSD ACD 5.03145
91 4V3I ASP LEU THR ARG PRO 5.05837
92 5UGW GSH 5.14286
93 5EW9 5VC 5.16605
94 2X5W K2B 5.2459
95 2Z9I GLY ALA THR VAL 5.24691
96 4ONC 40B 5.28169
97 1O5R FR9 5.33708
98 1BWO LPC 5.55556
99 3G6K FAD 5.57377
100 3G6K POP 5.57377
101 3CV9 VDX 5.58252
102 3E3U NVC 5.58376
103 3X1M COA 5.66038
104 1T0S BML 5.81395
105 5K7K 6RJ 5.90164
106 3RYC GDP 5.90164
107 3RET SAL 5.94059
108 3RET PYR 5.94059
109 1UUY PPI 5.98802
110 4MRP GSH 6.22951
111 2CNT COA 6.25
112 2A1L PCW 6.2963
113 2BCG GER 6.31068
114 5W7B MYR 6.55738
115 3HP9 CF1 6.55738
116 4COL DTP 6.55738
117 3GWL FAD 6.60377
118 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.80272
119 1TMX HGX 6.82594
120 4IAE 1DX 6.87831
121 5U98 1KX 7.07071
122 5C9J STE 7.07071
123 4F7E 0SH 7.14286
124 5Z1N PEF 7.14286
125 1N8V BDD 7.14286
126 3E7O 35F 7.21311
127 1N9L FMN 7.33945
128 5V4R MGT 7.40741
129 4RJD TFP 7.57576
130 2ALG DAO 7.6087
131 2ALG HP6 7.6087
132 4ONA UW1 7.86885
133 1VLH PNS 8.09249
134 1RV0 NDG 8.125
135 2HFP NSI 8.15603
136 5IF4 6AK 8.1761
137 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 8.20669
138 3KXC PLM 8.24742
139 3RUG DB6 8.29876
140 2FP2 TSA 8.43373
141 6MPT C30 8.74126
142 6C7R EO4 8.8
143 2FV5 541 8.81226
144 4Y9J UCC 8.85246
145 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 8.85246
146 3G5N PB2 9.18033
147 5HCN DAO 9.1954
148 2Z6C FMN 9.30233
149 1IYK MYA 9.83607
150 5MWE TCE 10
151 1N6B DMZ 10.1639
152 4EI7 GDP 10.1639
153 1R6N 434 10.4265
154 2RH1 CLR 10.4918
155 2RH1 CAU 10.4918
156 5ZCO CHD 10.9589
157 2DYR TGL 10.9589
158 5Z84 TGL 10.9589
159 5Z84 CHD 10.9589
160 5ZCO TGL 10.9589
161 2DYS TGL 10.9589
162 5ZCO PGV 10.9589
163 5Z84 PGV 10.9589
164 5W97 CHD 10.9589
165 2V0U FMN 10.9589
166 5DJT FMN 11.0345
167 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 11.0656
168 5EK3 5PK 11.1475
169 3DTU DXC 11.1475
170 2QZT PLM 11.7117
171 4Q9M FPP 13.8211
172 4EES FMN 13.913
173 3HUJ AGH 14.0845
174 3KRO DST 14.2336
175 3KRO IPE 14.2336
176 2Q8G AZX 14.4262
177 4WO4 JLS 14.5985
178 3G5K BB2 15.3005
179 1M13 HYF 15.4098
180 1NU4 MLA 15.4639
181 2EW5 Y12 16.0221
182 1OW4 2AN 16.2791
183 5LXT 7AK 16.7213
184 2Y69 CHD 17.5
185 5DJU FMN 18.0328
186 2LBD REA 21.3483
187 1XAP TTB 22.0974
188 3ET1 ET1 23.2787
189 5EFW FMN 23.3333
190 3KO0 TFP 23.7624
191 1ZDT PEF 24.4813
192 3KDU NKS 25.6318
193 3FEI CTM 26.5918
194 5SVV FMN 28.4672
195 3OKI OKI 30.9013
196 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 32.1739
197 2E2R 2OH 32.377
198 5AAV GW5 32.9365
199 2BJ4 OHT 32.9365
200 2QE4 JJ3 33.4677
201 1DKF BMS 36.4807
202 2I0G I0G 36.965
APoc FAQ
Feedback