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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 286 families.
1 3RY9 - 1CA C21 H30 O3 C[C@]12CC[....
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: 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 with APoc: 258
This union binding pocket(no: 1) in the query (biounit: 3ry9.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1HBK MYR None
2 4V1F BQ1 None
3 1UO5 PIH None
4 3WBG 2AN None
5 3BPX SAL None
6 2WOR 2AN None
7 1UO4 PIH None
8 4WG0 CHD None
9 5HZ9 5M8 None
10 2QZT PLM None
11 3AQT RCO None
12 4XB4 45D None
13 5X13 HC4 1.06383
14 3EE4 MYR 1.2
15 3D9F N6C 1.2
16 3D9F FAD 1.2
17 6D28 NEC 1.6
18 3B99 U51 1.6
19 4O4Z N2O 1.94805
20 3KP6 SAL 1.98676
21 4DE3 DN8 2
22 2HZL PYR 2
23 4ZVV NAD 2
24 4ZVV GN0 2
25 2F2G HMH 2.26244
26 2Q4X HMH 2.26244
27 1R6N 434 2.36967
28 6DIO CIT 2.4
29 5NM7 GLY 2.4
30 3W5N RAM 2.4
31 2PX6 DH9 2.4
32 5IUY BOG 2.4
33 5X80 SAL 2.5
34 2BHW NEX 2.58621
35 3G6N MET ALA SER 2.6178
36 5AIP 4HP 2.73973
37 5CKS GAL 2.8
38 2OHV NHL 2.8
39 4G86 BNT 2.8
40 6A0S NDP 2.8
41 5EK3 5PK 2.8
42 5IM3 DTP 2.8
43 3O01 DXC 2.8
44 3W54 RNB 2.8
45 3G5D 1N1 2.8
46 2P1C GG3 2.8
47 2V95 HCY 2.8
48 3B6C SDN 2.99145
49 3NJQ NJQ 3.10881
50 4P3H 25G 3.10881
51 5XQL C2E 3.2
52 6BR8 6OU 3.2
53 4B1V LAB 3.2
54 5J32 IPM 3.2
55 5OLK DTP 3.2
56 1T27 PCW 3.2
57 4URX FK1 3.24324
58 5N26 CPT 3.2967
59 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.34728
60 4OB1 BUB 3.43348
61 4OB0 PBC 3.43348
62 6FA4 D1W 3.46821
63 5B0I BOG 3.49854
64 3KYQ DPV 3.51759
65 6B5Q PPI CZS 2KY MLY 1XY 3.55556
66 6BVK EAV 3.59281
67 6BVM EBV 3.59281
68 6D5V FVY 3.59281
69 2HHP FLC 3.6
70 3WDM ADN 3.6
71 1J78 OLA 3.6
72 3GDN HBX 3.6
73 3OID TCL 3.6
74 4XNV BUR 3.6
75 3GDN FAD 3.6
76 1BRW URA 3.6
77 6A56 LAT 3.65854
78 1DTL BEP 3.72671
79 5X3R 7Y3 3.90244
80 4MRP GSH 4
81 3LXI CAM 4
82 3ZQE DXC 4
83 4BFW ZVW 4
84 3KAL HGS 4
85 5WSY 7UC 4.04624
86 1EX7 5GP 4.30108
87 2XN3 ID8 4.4
88 5AE2 FYC 4.4
89 5FQK 6NT 4.46097
90 5XJ7 87O 4.47761
91 3GYT DL4 4.5082
92 2CB8 MYA 4.5977
93 4WT2 3UD 4.7619
94 1YC4 43P 4.8
95 1IUP ALQ 4.8
96 1TV5 N8E 4.8
97 3F3E LEU 4.8
98 4WGF HX2 4.87805
99 1WEI ADE 4.88889
100 5UWA 8ND 4.92611
101 1L0I PSR 5.12821
102 3RWP ABQ 5.2
103 3L9R L9R 5.2
104 3L9R L9Q 5.2
105 4B7P 9UN 5.21739
106 2YI0 YI0 5.24017
107 5B4B LP5 5.24194
108 1NF8 BOG 5.31401
109 5UC4 83S 5.45455
110 2D5X L35 5.47945
111 1FX8 BOG 5.6
112 4V3I ASP LEU THR ARG PRO 5.6
113 1UDY FAD 5.6
114 1UDY CS8 5.6
115 5FPN KYD 5.6
116 5EZU MYR 5.61798
117 4F4P 0SB 5.86081
118 2BP1 FLC 6
119 4Y9J UCC 6
120 5O4J 9KH 6
121 5O4J SAH 6
122 2CIX CEJ 6
123 5UR1 YY9 6
124 6CB2 OLC 6.4
125 3HP9 CF1 6.4
126 3VP6 HLD 6.4
127 1SBR VIB 6.5
128 1JGS SAL 6.52174
129 4AZP A9M 6.52174
130 5Y02 HBX 6.54206
131 3LN0 52B 6.8
132 5HGR 45D 6.8
133 2XRH NIO 7
134 3GWN FAD 7.01754
135 1EWF PC1 7.2
136 3WFD AXO 7.51174
137 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.6
138 1A05 IPM 7.6
139 4LY9 1YY 7.6
140 4LY9 S6P 7.6
141 6F6E PLM 7.91139
142 3GZ9 D32 8
143 5DEY 59T 8
144 1XVB 3BR 8
145 1XX4 BAM 8
146 5CSD ACD 8.1761
147 2P4Y C03 8.4
148 3KDU NKS 8.4
149 3G9E RO7 8.4
150 3ET3 ET1 8.4
151 2PRG BRL 8.4
152 3ET1 ET1 8.4
153 2HFP NSI 8.4
154 6AD9 KK4 8.4
155 3FEI CTM 8.4
156 2P54 735 8.4
157 1K7L 544 8.4
158 3T03 3T0 8.4
159 3B1M KRC 8.4
160 2JHP GUN 8.4
161 5OSW DIU 8.4
162 5UC9 MYR 8.40708
163 1XZ3 ICF 8.62069
164 5TVI MYR 8.69565
165 2BCG GER 8.8
166 4HEE 14R 9.2
167 2J07 FAD 9.6
168 2J07 HDF 9.6
169 1OLM VTQ 9.6
170 4BVM VCA 9.77444
171 3L1N PLM 9.79381
172 4BIX ADP 10
173 5NI5 8YB 10.4
174 4WPF 3SN 10.4
175 4QEK GLC 10.6312
176 2NNQ T4B 10.687
177 1BGQ RDC 10.8
178 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 11
179 5WL1 D3D 11.1111
180 5WL1 CUY 11.1111
181 5U98 1KX 11.1111
182 3HUJ AGH 11.1111
183 5BVT PAM 11.194
184 4URG C2E 11.3772
185 1T0S BML 11.6
186 2Z7I 742 11.6
187 5OCA 9QZ 11.9048
188 1UVC STE 12.0879
189 5N17 8FK 12.3188
190 5OM2 DXT 12.5
191 1N83 CLR 12.8
192 4RJD TFP 13.6364
193 3ANY 2A3 14.8
194 3G4Q MCH 15.0685
195 2LBD REA 15.2
196 3KMR EQN 15.2
197 5LXT GDP 15.6
198 5LXT 7AK 15.6
199 1FCZ 156 16.1702
200 5XNA SHV 16.6667
201 1YRX FMN 17.3554
202 2Q8G AZX 18
203 4QO5 NAG 20.4
204 5Z84 CHD 20.7048
205 2Y69 CHD 20.7048
206 5ZCO CHD 20.7048
207 5Z84 PEK 20.7048
208 1YOK P6L 21.2
209 1YUC EPH 21.2
210 1JR8 FAD 21.3675
211 5UNJ RJW 21.6327
212 1ZDU P3A 21.6327
213 3BEJ MUF 22.2689
214 4OGQ 7PH 22.5806
215 4OGQ UMQ 22.5806
216 3IPQ 965 22.8
217 4QJR PIZ 23.2653
218 1ZDT PEF 24.0664
219 1LEK GLU GLN TYR LYS PHE TYR SER VAL 24.2424
220 3QUZ QUV 24.2424
221 1YMT DR9 24.3902
222 1YP0 PEF 24.6862
223 4DK7 0KS 25.1012
224 1DB1 VDX 26
225 1M13 HYF 26
226 1NRL SRL 26
227 3KO0 TFP 26.7327
228 1XAP TTB 26.9663
229 4DM8 REA 26.9663
230 1HG4 LPP 27.2401
231 1FM9 9CR 28.5714
232 1FM9 570 28.5714
233 6GMN F4E 28.8462
234 1DKF BMS 29.1845
235 1DKF OLA 29.1845
236 4M8E 29V 29.4372
237 4POJ 2VP 29.4372
238 1PZL MYR 29.5359
239 3OKI OKI 29.6137
240 3DCT 064 29.7872
241 3H0A 9RA 29.8246
242 3FS1 MYR 30.4348
243 3RUU 37G 30.5677
244 5ICK FEZ 30.5677
245 4OIV XX9 32.3009
246 2I0G I0G 32.8
247 1YYE 196 32.8
248 1G2N EPH 34
249 1U3R 338 34.0249
250 2E2R 2OH 34.8361
251 3UUD EST 41.2
252 3UU7 2OH 41.2
253 2QZO KN1 41.2
254 2QA8 GEN 41.2
255 5AAV GW5 41.2
256 2BJ4 OHT 41.2
257 3UUA 0CZ 41.2
258 2QE4 JJ3 41.5323
Pocket No.: 2; Query (leader) PDB : 3RY9; Ligand: 1CA; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 3ry9.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4YV5 SVR None
2 1MT1 AG2 None
3 2GFD RDA 1.69492
4 1PU7 39A 2.29358
5 3E8T UQ8 2.72727
6 6AMI TRP 2.8
7 4U0I 0LI 2.8
8 1ZDQ MSM 2.8
9 5OCM 9RH 3.2
10 1FK5 OLA 3.22581
11 2F7A BEZ 3.44828
12 6CEP OXM 3.6
13 4AG8 AXI 4.4
14 5AE2 FAD 4.4
15 1EU8 TRE 4.4
16 3E85 BSU 4.43038
17 4RYV ZEA 4.51613
18 1UUY PPI 4.79042
19 3Q8G PEE 4.8
20 2ART LPA AMP 5.2
21 3VV5 SLZ 5.2
22 1NE7 16G 5.6
23 5O4J PJL 6
24 5JKG 6LF 6
25 1OQC FAD 6.4
26 3WHB DCC 6.70103
27 1UUO FMN 6.8
28 1UUO ORO 6.8
29 1UUO BRF 6.8
30 4N4J HG1 7.6
31 4NZ6 DGL 7.6
32 1MID LAP 7.69231
33 3MBG FAD 7.91367
34 1RV1 IMZ 8.23529
35 2QM9 TDZ 9.03226
36 5D48 L96 9.21053
37 2BTO GTP 9.25926
38 4IGH 1EA 10.4
39 4IGH FMN 10.4
40 4IGH ORO 10.4
41 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 11.1111
42 3V66 D3A 12
43 1QV1 CZH 12.3077
44 3N7H DE3 13.6
45 2IYG FMN 17.7419
46 3D78 NBB 18.4874
47 5W97 CHD 20.7048
48 5ZCO PEK 20.7048
49 3G08 FEE 24.2424
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