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Receptor
PDB id Resolution Class Description Source Keywords
4APU 1.9 Å NON-ENZYME: SIGNAL_HORMONE PR X-RAY STRUCTURES IN AGONIST CONFORMATIONS REVEAL TWO DIFF MECHANISMS FOR PARTIAL AGONISM IN 11BETA-SUBSTITUTED STEROI HOMO SAPIENS TRANSCRIPTION ASOPRISNIL PARTIAL AGONIST
Ref.: X-RAY STRUCTURES OF PROGESTERONE RECEPTOR LIGAND BI DOMAIN IN ITS AGONIST STATE REVEAL DIFFERING MECHAN MIXED PROFILES OF 11 BETA-SUBSTITUTED STEROIDS. J. BIOL. CHEM. V. 287 20333 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2K B:1933;
Valid;
none;
submit data
503.674 C35 H37 N O2 C[C@]...
OR8 A:1933;
Valid;
none;
submit data
394.876 C17 H19 Cl N4 O3 S Cc1c(...
SO4 A:1934;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SR7 1.46 Å NON-ENZYME: SIGNAL_HORMONE PROGESTERONE RECEPTOR HORMONE BINDING DOMAIN WITH BOUND MOME FUROATE HOMO SAPIENS PROGESTERONE RECEPTOR MOMETASONE PROGESTERONE NUCLEAR RECHORMONE RECEPTOR TRANSCRIPTION
Ref.: PROGESTERONE RECEPTOR LIGAND BINDING POCKET FLEXIBI CRYSTAL STRUCTURES OF THE NORETHINDRONE AND MOMETAS FUROATE COMPLEXES J.MED.CHEM. V. 47 3381 2004
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 1SQN Kd = 0.4 nM NDR C20 H26 O2 C[C@]12CC[....
2 3ZRB - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
3 4APU - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
4 3HQ5 ic50 = 16 nM GKK C20 H19 Cl F3 N3 C[N@]1CC[C....
5 1ZUC ic50 = 1.7 nM T98 C16 H15 N3 O S CC1(c2cc(c....
6 3ZR7 - OR8 C17 H19 Cl N4 O3 S Cc1c(c(on1....
7 1SR7 Kd = 0.08 nM MOF C27 H30 Cl2 O6 C[C@@H]1C[....
8 3D90 - NOG C21 H28 O2 CC[C@]12CC....
9 3ZRA - ORB C18 H17 Cl F N3 O3 S Cc1c(c(on1....
10 3G8O ic50 = 125 nM 30X C15 H15 F6 N3 O C[C@@H](C(....
11 3KBA ic50 = 16 nM WOW C20 H22 Cl N3 O2 S Cc1ccccc1C....
12 4A2J - AS0 C28 H35 N O4 C[C@]12C[C....
13 2W8Y - NDR C20 H26 O2 C[C@]12CC[....
14 1A28 Ki = 5.1 nM STR C21 H30 O2 CC(=O)[C@H....
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: A2K; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A2K 1 1
Ligand no: 2; Ligand: OR8; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OR8 1 1
2 6Q0 0.571429 0.84058
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SR7; Ligand: MOF; Similar sites found with APoc: 433
This union binding pocket(no: 1) in the query (biounit: 1sr7.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOR 2AN None
2 1UO5 PIH None
3 4WG0 CHD None
4 2JAP J01 None
5 1MT1 AG2 None
6 4RJD TFP None
7 4V1F BQ1 None
8 1UO4 PIH None
9 2QQD AG2 None
10 4JGX PLM None
11 3I6B KDO None
12 1N13 AG2 None
13 2BYC FMN None
14 2QQC AG2 None
15 2O5L MNR None
16 6FA4 D1W None
17 5KBE IPH 0.436681
18 6H8S FSZ 0.772201
19 4WGF HX2 0.97561
20 6AP8 BNY 1.1583
21 4K7O EKZ 1.19048
22 3KP6 SAL 1.3245
23 4R38 RBF 1.42857
24 1NF8 BOG 1.44928
25 6CB2 OLC 1.5444
26 2BP1 FLC 1.5444
27 5AZC PGT 1.5444
28 2OHV NHL 1.5444
29 2PYW SR1 1.5444
30 4V3I ASP LEU THR ARG PRO 1.55642
31 3AQT RCO 1.63265
32 4YV5 SVR 1.63934
33 4PGK Y69 1.63934
34 5UGW GSH 1.71429
35 3P9T TCL 1.82648
36 4I90 CHT 1.9305
37 4B1V LAB 1.9305
38 4DS8 A8S 1.9305
39 6BMS POV 1.9305
40 1Q19 SSC 1.9305
41 6CGZ HL6 1.9305
42 4K10 NI9 1.9305
43 4O1Z MXM 1.9305
44 2Z9I GLY ALA THR VAL 1.9305
45 2HFK E4H 1.9305
46 1NU4 MLA 2.06186
47 2BHW NEX 2.15517
48 3RV5 DXC 2.24719
49 1I0B PEL 2.3166
50 5K53 STE 2.3166
51 3X01 AMP 2.3166
52 4URX FK1 2.3166
53 3ECN IBM 2.3166
54 3ETG GTP 2.3166
55 6BVJ EAS 2.3166
56 5NCB JZ3 2.3166
57 4LY9 1YY 2.3166
58 4LY9 S6P 2.3166
59 5JO1 6LM 2.3166
60 6BVL EBY 2.3166
61 6BVI EC4 2.3166
62 3G58 988 2.3166
63 2WKQ FMN 2.3166
64 3TKY N7I 2.3166
65 3R9V DXC 2.3166
66 3B6O TMP 2.42915
67 1DTL BEP 2.48447
68 2AK3 AMP 2.65487
69 1N8V BDD 2.67857
70 3TDC 0EU 2.7027
71 2UW1 GVM 2.7027
72 3CHT 4NB 2.7027
73 3ZGJ RMN 2.7027
74 4YDQ HFG 2.7027
75 4YDQ ANP 2.7027
76 1PNF NDG NAG 2.7027
77 4E70 N7I 2.7027
78 1J78 OLA 2.7027
79 2UXI G50 2.85714
80 1XZ3 ICF 2.87356
81 5HWK BEZ 2.91667
82 4DOO DAO 2.92683
83 6EWZ GTP 2.95359
84 5KAU RHQ 3.0303
85 3O01 DXC 3.0888
86 1XX4 BAM 3.0888
87 4ETZ C2E 3.0888
88 3ZQE DXC 3.0888
89 5J32 IPM 3.0888
90 5U97 PIT 3.0888
91 4QGE 35O 3.0888
92 5AE2 FAD 3.0888
93 5AE2 FYC 3.0888
94 5KD8 TNR 3.0888
95 3VV5 SLZ 3.0888
96 4IBF 1D5 3.10078
97 6F6E PLM 3.16456
98 2IYG FMN 3.22581
99 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.40136
100 2CB8 MYA 3.44828
101 1YC4 43P 3.4749
102 2A1L PCW 3.4749
103 3KAL HGS 3.4749
104 2X1L MET 3.4749
105 5B25 4QJ 3.4749
106 3KVY URA 3.4749
107 3I0O ADP 3.4749
108 4R29 SAM 3.57143
109 4ZB6 GDS 3.58744
110 4URG C2E 3.59281
111 1RL4 BL5 3.7234
112 3D04 SAK 3.77358
113 5IF4 6AK 3.77358
114 1R6N 434 3.79147
115 5W7B MYR 3.861
116 6DIO CIT 3.861
117 1FX8 BOG 3.861
118 2HHP FLC 3.861
119 2JC9 ADN 3.861
120 1DRJ RIP 3.861
121 5F7J ADE 3.861
122 5NM7 GLY 3.861
123 6MFL OPV 3.861
124 4O08 PO6 3.861
125 1ZPD CIT 3.87324
126 6A46 DCM 3.90625
127 3BPX SAL 4.05405
128 4ZB8 GDS 4.05405
129 5UC4 83S 4.09091
130 4YMU ARG 4.09091
131 3GYT DL4 4.09836
132 2D5X L35 4.10959
133 2D5Z L35 4.10959
134 6FS0 E4W 4.12844
135 1S8G DAO 4.13223
136 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.1841
137 1YKD CMP 4.2471
138 4BIX ADP 4.2471
139 1TMX HGX 4.2471
140 2RH1 CLR 4.2471
141 5F5N 5VD 4.2471
142 4YUS FMN 4.2471
143 3GL0 HXX 4.2471
144 6BR9 6OU 4.2471
145 3T3Z 9PL 4.2471
146 2RH1 CAU 4.2471
147 5X13 HC4 4.25532
148 4UCC ZKW 4.29185
149 2Z77 NCA 4.31655
150 5V4R MGT 4.32099
151 6BR8 6OU 4.36508
152 6BR8 PGV 4.36508
153 5CHR 4NC 4.37956
154 3TL1 JRO 4.40252
155 3ZLR X0B 4.43038
156 3JQM GTP 4.4586
157 2Z6D FMN 4.61538
158 3SHZ 5CO 4.6332
159 3B99 U51 4.6332
160 5EY0 GTP 4.6332
161 5MBC FMN 4.6332
162 2OZ5 7XY 4.6332
163 5GQX GLC GLC GLC GLC 4.6332
164 5OD2 GLC 4.6332
165 5OLK DTP 4.6332
166 1UA4 GLC 4.6332
167 1UA4 BGC 4.6332
168 4OB0 PBC 4.72103
169 4OB1 BUB 4.72103
170 3R1V AZB 4.72441
171 1Q3A NGH 4.84848
172 5K52 OCD 4.90566
173 2XRH NIO 5
174 2Q8G AZX 5.01931
175 3CV2 COA 5.01931
176 3BY9 SIN 5.01931
177 4UMJ BFQ 5.01931
178 5OSW DIU 5.01931
179 5IUY BOG 5.01931
180 3HR1 PF9 5.01931
181 1T27 PCW 5.01931
182 3LXI CAM 5.01931
183 5SXS NIZ 5.01931
184 5C9J DAO 5.05051
185 1JGS SAL 5.07246
186 5SVV FMN 5.10949
187 3B6C SDN 5.12821
188 6D28 NEC 5.12821
189 5XQL C2E 5.40541
190 1TV5 N8E 5.40541
191 3KYQ DPV 5.40541
192 5UTQ OAN 5.40541
193 5FUS DAO 5.40541
194 5ERM 210 5.40541
195 4IGH ORO 5.40541
196 4IGH 1EA 5.40541
197 4IGH FMN 5.40541
198 5TVI MYR 5.43478
199 2GBB CIT 5.76923
200 3GXO MQA 5.79151
201 2XXP DSL 5.79151
202 6B21 C9V 5.79151
203 2QPU QPU 5.79151
204 4OIC A8S 5.7971
205 1UI0 URA 5.85366
206 4EKQ NPO 5.88235
207 3PMD 11A 5.88235
208 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 6
209 5N26 CPT 6.04396
210 3E3U NVC 6.09137
211 2CIX CEJ 6.17761
212 6CGN DA 6.17761
213 2YP9 SIA CMO 6.17761
214 2O1V ADP 6.17761
215 2YLD CMO 6.29921
216 5N7O 69Y 6.33484
217 5XJD 87L 6.36364
218 4RYV ZEA 6.45161
219 6AYI C3G 6.53266
220 3GFZ FMN 6.56371
221 6GK6 MYR 6.56371
222 4OKD GLC GLC GLC 6.56371
223 1BRW URA 6.56371
224 4GVF NDG 6.56371
225 4GVF NAG 6.56371
226 6CIB ADP 6.56371
227 1UOU CMU 6.56371
228 3ROE THM 6.56371
229 2YFB SIN 6.58915
230 5DKK FMN 6.89655
231 2VWA PTY 6.93069
232 3R9C ECL 6.94981
233 3Q8G PEE 6.94981
234 3T50 FMN 7.03125
235 1ID0 ANP 7.23684
236 5FH7 5XL 7.25806
237 2QJY UQ2 7.33591
238 2WPX ACO 7.33591
239 2WPW ACO 7.33591
240 4WUJ FMN 7.48299
241 1SBR VIB 7.5
242 4YSX E23 7.69231
243 1A05 IPM 7.72201
244 3HYW DCQ 7.72201
245 1XMY ROL 7.72201
246 4Q86 AMP 7.72201
247 2IOY RIP 7.72201
248 1KYZ FER 7.72201
249 4IJP 1EH 7.72201
250 3L1N PLM 7.73196
251 2Z6C FMN 7.75194
252 5MOB A8S 7.75862
253 3IX9 MTX 7.89474
254 4DE3 DN8 8.10811
255 4DDY DN6 8.10811
256 3GZ9 D32 8.10811
257 6BLD DXJ 8.10811
258 5X80 SAL 8.125
259 5B0I BOG 8.16327
260 4KZV TRE 8.20895
261 1X0P FAD 8.39161
262 2WG9 OCA 8.46154
263 3ET3 ET1 8.49421
264 2HFP NSI 8.49421
265 3ET1 ET1 8.49421
266 2P4Y C03 8.49421
267 3KDU NKS 8.49421
268 6AD9 KK4 8.49421
269 3G9E RO7 8.49421
270 1K7L 544 8.49421
271 4HEE 14R 8.49421
272 1T0S BML 8.49421
273 2P54 735 8.49421
274 3FEI CTM 8.49421
275 4RW3 SHV 8.49421
276 3ZPG 5GP 8.49421
277 3WBG 2AN 8.49673
278 2F2G HMH 8.59729
279 2Q4X HMH 8.59729
280 4EJ1 FOL 8.80503
281 3NJQ NJQ 8.80829
282 4P3H 25G 8.80829
283 4MRP GSH 8.88031
284 3RMK BML 8.88031
285 4BE9 7P9 8.88031
286 2BCG GER 9.26641
287 1QMG DMV 9.26641
288 5MTE BB2 9.48905
289 3NMV PYV 9.55056
290 4EES FMN 9.56522
291 3JRS A8S 9.61539
292 5HZ9 5M8 9.62963
293 1ZED PNP 9.65251
294 5NI5 8YB 9.65251
295 4WPF 3SN 9.65251
296 3PD6 PMP 9.65251
297 3OGN 3OG 9.67742
298 1MID LAP 9.89011
299 3KDJ A8S 9.90099
300 5XJ7 87O 9.95025
301 2XN3 ID8 10
302 4ARE FLC 10.0386
303 4NKW PLO 10.0386
304 5OCA 9QZ 10.3175
305 4DR9 BB2 10.4167
306 5IM3 DTP 10.4247
307 1XVB 3BR 10.5882
308 4JX1 CAH 10.6195
309 2NW9 FT6 10.8108
310 1EWF PC1 11.1969
311 3ZCB ATP 11.2903
312 4CQM NAP 11.4754
313 5CX6 CDP 11.583
314 1DB1 VDX 11.583
315 3HP9 CF1 11.583
316 3WQM B29 11.583
317 1N83 CLR 11.9691
318 4DK7 0KS 12.1457
319 4RC8 STE 12.1622
320 5X3R 7Y3 12.1951
321 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 12.2951
322 1NQ7 ARL 12.2951
323 4G86 BNT 12.3552
324 3EE4 MYR 12.3552
325 4QBK 3NZ 12.3711
326 2PRG BRL 12.5
327 3F8C HT1 12.6984
328 1GNI OLA 12.7413
329 2V0U FMN 13.0137
330 5DJT FMN 13.1034
331 5EFW FMN 13.1034
332 4IA6 EIC 13.1274
333 2Z7I 742 13.1274
334 1C1X HFA 13.1274
335 1BW9 PPY 13.1274
336 4F4S EFO 13.1579
337 4MNS 2AX 13.2075
338 4DXJ 0M9 13.5135
339 4HIA FMN 13.6364
340 3NB0 G6P 14.2857
341 1UUO BRF 14.2857
342 1UUO ORO 14.2857
343 1UUO FMN 14.2857
344 3B9Z CO2 14.6718
345 3G4Q MCH 15.0685
346 4NB5 2JT 15.2047
347 5O6Y 5YA 15.4206
348 4W9N TCL 15.444
349 1N9L FMN 15.5963
350 3W54 RNB 16.9884
351 1LEK GLU GLN TYR LYS PHE TYR SER VAL 17.1717
352 3QUZ QUV 17.1717
353 4O4Z N2O 17.5325
354 1BWO LPC 17.7778
355 1HBK MYR 17.9775
356 1HBK COA 17.9775
357 5MWE TCE 18.5714
358 5M37 9SZ 18.6957
359 5M36 9SZ 18.7773
360 1MFI FHC 19.2982
361 3KXC PLM 19.6203
362 3RET SAL 19.802
363 3RET PYR 19.802
364 5LXT GDP 20.0772
365 3KMR EQN 20.3008
366 5Y02 HBX 20.5607
367 1XAP TTB 20.5993
368 2LBD REA 20.5993
369 4DM8 REA 20.5993
370 4HBM 0Y7 20.8333
371 1FCZ 156 22.1277
372 2Y69 CHD 22.2222
373 3V66 D3A 22.3938
374 3WBZ ATP 22.7799
375 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 22.8571
376 1NRL SRL 23.166
377 1M13 HYF 23.166
378 3KO0 TFP 23.7624
379 4OGN 2U5 23.8095
380 4WT2 3UD 23.8095
381 3BEJ MUF 25.6303
382 3OKI OKI 25.7511
383 4LWU 20U 25.8824
384 1LNX URI 25.9259
385 3DCT 064 25.9574
386 4OAS 2SW 26.0417
387 5W97 CHD 26.087
388 5Z84 CHD 26.087
389 5ZCO CHD 26.087
390 3MN5 LAB 26.3158
391 5ICK FEZ 26.6376
392 3RUU 37G 26.6376
393 3IPQ 965 26.6409
394 6GMN F4E 26.9231
395 4OIV XX9 26.9911
396 1FM9 9CR 28.9916
397 1FM9 570 28.9916
398 1RV1 IMZ 29.4118
399 1DKF OLA 29.6137
400 1DKF BMS 29.6137
401 1YOK P6L 29.6875
402 5NNT DPV 29.7297
403 1YUC EPH 29.8039
404 4M8E 29V 29.8701
405 4POJ 2VP 29.8701
406 3H0A 9RA 30.2632
407 1HG4 LPP 30.8244
408 5UNJ RJW 31.0204
409 1ZDU P3A 31.0204
410 3KPE TM3 31.3725
411 4OGQ 7PH 32.3529
412 4OGQ 1O2 32.3529
413 4OGQ SQD 32.3529
414 4OGQ UMQ 32.3529
415 1PZL MYR 32.4895
416 1G2N EPH 33.2046
417 1YP0 PEF 33.4728
418 3FS1 MYR 33.4783
419 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 33.4783
420 1ZDT PEF 33.61
421 4QJR PIZ 34.6939
422 2E2R 2OH 35.6557
423 1YYE 196 38.2239
424 2I0G I0G 38.5214
425 1U3R 338 41.0788
426 2QA8 GEN 43.0233
427 2QZO KN1 43.0233
428 2BJ4 OHT 44.0476
429 5AAV GW5 44.0476
430 3UUD EST 44.2231
431 3UU7 2OH 44.2231
432 3UUA 0CZ 44.2231
433 2QE4 JJ3 44.7581
Pocket No.: 2; Query (leader) PDB : 1SR7; Ligand: MOF; Similar sites found with APoc: 151
This union binding pocket(no: 2) in the query (biounit: 1sr7.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1H0A I3P None
2 2XEM SSV None
3 5XNA SHV None
4 5JWM 6ON None
5 1YRX FMN None
6 4V2O CLQ None
7 2AMT 1AA None
8 1TIQ COA None
9 3KC1 2T6 1.1583
10 5UC9 MYR 1.32743
11 2EV1 OLA 1.35135
12 4INB 1F6 1.36986
13 3HAV SRY 1.5444
14 1NBU PH2 1.68067
15 3V78 ET 1.92308
16 1TZD ADP 1.9305
17 4CFS HQD 1.9305
18 3Q2H QHF 1.9305
19 2QEH SRO 2.06897
20 4RHP PEF 2.12766
21 2Y7P SAL 2.29358
22 6D5V FVY 2.3166
23 6D5J FV4 2.3166
24 6D55 FWA 2.3166
25 6D5E FVG 2.3166
26 6D5L FW7 2.3166
27 6D5M FW4 2.3166
28 6D5G FVD 2.3166
29 2QCX PF1 2.3166
30 2EFX NFA 2.3166
31 4OB6 S2T 2.3166
32 4E90 7RG 2.3166
33 3AQA BYH 2.34375
34 1OW3 GDP 2.59067
35 2IDO TMP 2.68817
36 5OKL PAM 2.7027
37 2VCN ISZ 2.7027
38 2AEL SAZ 2.7027
39 4XRZ SI6 2.7027
40 3WJO IPE 2.7027
41 2ADA HPR 2.7027
42 4AQL TXC 2.73109
43 1XQP 8HG 2.73438
44 2J0V GDP 2.83019
45 6FS8 E4Z 2.92683
46 4N14 WR7 3.0888
47 2WDA L42 3.0888
48 6MVU K4V 3.0888
49 4EXO PYR 3.42466
50 5URY PAM 3.42466
51 1Y79 LYS TRP 3.4749
52 4EIL FOL 3.4749
53 6EOP F15 3.4749
54 4EIL CB3 3.4749
55 3QP8 HL0 3.80435
56 3QP4 HL0 3.84615
57 1GZ4 FUM 3.861
58 2Z9V PXM 3.861
59 4DYO SD4 3.861
60 5OKT 9XK 3.861
61 6C0B PAM 3.861
62 6BMM OLB 3.861
63 1WB4 SXX 3.861
64 4UYF 73B 3.8961
65 1WEI ADE 4
66 3N8K D1X 4.06977
67 5DCH 1YO 4.16667
68 2JHP GUN 4.2471
69 3SQP 3J8 4.2471
70 5G57 6M5 4.2471
71 4FMJ SIA GAL 4.2471
72 5ZQ4 AMP 4.2471
73 5OM2 DXT 4.2471
74 1BGV GLU 4.2471
75 6DND PLP 4.2471
76 5B4B LP5 4.43548
77 4UYG 73B 4.4586
78 5LJ0 6XX 4.61538
79 3BJC WAN 4.6332
80 3JRX S1A 4.6332
81 5X20 AOT 4.6332
82 2WTN FER 4.78088
83 4DW4 U5P 4.79042
84 1SO2 666 5.01931
85 3LLI FAD 5.01931
86 5XVH TLA 5.01931
87 5OSW AE4 5.01931
88 5C9J STE 5.05051
89 5K7H IVC 5.19481
90 5BVT PAM 5.22388
91 5AHS FAD 5.40541
92 1SQL GUN 5.47945
93 4CPB GAL CN8 5.78512
94 4NTK ZSP 5.78512
95 3NIP 16D 5.79151
96 6MDE MEV 5.79151
97 4XUB 43D 5.98291
98 3G4G D71 6.17761
99 2NV2 GLN 6.17761
100 1OW4 2AN 6.20155
101 3BRN SRO 6.36943
102 1RTW MP5 6.81818
103 4R98 GNH 6.94981
104 2FVK DUC 6.94981
105 1C3R TSN 6.94981
106 1JU4 BEZ 6.94981
107 3A23 GAL 6.94981
108 4URN NOV 7.11111
109 5HPY GDP 7.32759
110 6AYH C3G 7.46269
111 5OF1 SAL 7.61905
112 5U5G 7VD 7.72201
113 5M8T 0TR 7.72201
114 1XM4 PIL 7.72201
115 2QZT PLM 8.10811
116 5HCN DAO 8.10811
117 3HLX PQQ 8.13953
118 2QLX RM4 8.33333
119 2FP2 TSA 8.43373
120 5I8F ML1 8.48485
121 1MLD CIT 8.88031
122 2OFW ADX 9.13461
123 5OHJ 9VE 9.26641
124 4GBD MCF 9.26641
125 4RLT FSE 9.52381
126 2PX6 DH9 9.65251
127 5N0L ILE 10.0629
128 4I67 G G G RPC 10.3448
129 2E1A MSE 10.6667
130 5TDU PCR 10.6796
131 4LH7 NMN 10.8108
132 5I0U DCY 11
133 5X5M 7YU 11.1111
134 3ZZH NLG 11.1969
135 5N8V KZZ 11.5942
136 4FLP JQ1 11.7647
137 4BVM PLM 12.782
138 4BVM VCA 12.782
139 4JWK CTN 12.9534
140 1X8D RNS 13.4615
141 4XCP PLM 15.2941
142 5A7C 5D4 15.9292
143 3IA4 MTX 16.6667
144 4DID GDP 17.1053
145 2WDQ CBE 17.2269
146 3UNG ADP 17.7606
147 5KOR GDP 18.5328
148 5TVA COA 18.75
149 1L0I PSR 20.5128
150 5Y02 MXN 20.5607
151 1YMT DR9 32.9268
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