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Receptor
PDB id Resolution Class Description Source Keywords
1LRI 1.45 Å NON-ENZYME: TOXIN_VIRAL BETA-CRYPTOGEIN-CHOLESTEROL COMPLEX PHYTOPHTHORA CRYPTOGEA CRYPTOGEIN CHOLESTEROL STEROL CARRIER PROTEIN TOXIN
Ref.: THE 1.45 A RESOLUTION STRUCTURE OF THE CRYPTOGEIN-CHOLESTEROL COMPLEX: A CLOSE-UP VIEW OF A STEROL CARRIER PROTEIN (SCP) ACTIVE SITE. ACTA CRYSTALLOGR.,SECT.D V. 58 1442 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:100;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CLR A:99;
Valid;
none;
submit data
386.654 C27 H46 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LRI 1.45 Å NON-ENZYME: TOXIN_VIRAL BETA-CRYPTOGEIN-CHOLESTEROL COMPLEX PHYTOPHTHORA CRYPTOGEA CRYPTOGEIN CHOLESTEROL STEROL CARRIER PROTEIN TOXIN
Ref.: THE 1.45 A RESOLUTION STRUCTURE OF THE CRYPTOGEIN-CHOLESTEROL COMPLEX: A CLOSE-UP VIEW OF A STEROL CARRIER PROTEIN (SCP) ACTIVE SITE. ACTA CRYSTALLOGR.,SECT.D V. 58 1442 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
3 2AIB - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
3 2AIB - ERG C28 H44 O CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CLR; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 CLR 1 1
2 HC3 0.807692 0.921053
3 HC9 0.666667 0.894737
4 Y01 0.638298 0.853659
5 HC2 0.58427 0.921053
6 HCD 0.58427 0.921053
7 5JK 0.573034 0.921053
8 HCR 0.573034 0.921053
9 2OB 0.560748 0.8
10 2DC 0.543478 0.829268
11 CLL 0.535714 0.8
12 PLO 0.529412 0.864865
13 K2B 0.494624 0.861111
14 XCA 0.46 0.829268
15 AND 0.44186 0.864865
16 0T9 0.432692 0.825
17 L39 0.428571 0.785714
18 DL4 0.407767 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LRI; Ligand: CLR; Similar sites found with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 1lri.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5UGW GSH None
2 4O4Z N2O None
3 1N9L FMN None
4 1VRP IOM None
5 3FXU TSU None
6 2D5X L35 None
7 3KP6 SAL None
8 1U6R IOM None
9 2V0U FMN None
10 4WG0 CHD None
11 5NTP 98E None
12 5EFW FMN None
13 6GG9 FMN None
14 2VWA PTY None
15 4EES FMN None
16 3VMG 9CA None
17 5DJT FMN None
18 6GBV FMN None
19 5SVV FMN None
20 5HSS 64Z None
21 1ONI BEZ None
22 5U5G 7VD None
23 5EEH P9P None
24 2Z6C FMN None
25 2YLD CMO None
26 1I06 TZL None
27 1UO4 PIH None
28 1BWO LPC None
29 3G4Q MCH None
30 5GOP FRU None
31 5JCM NAD None
32 5JCM FAD None
33 5JCM ISD None
34 3T50 FMN None
35 4A7W GTP None
36 5NM7 GLY None
37 2PR5 FMN 2.04082
38 5C9J DAO 2.04082
39 4GCZ FMN 2.04082
40 1U3R 338 3.06122
41 2EFJ 37T 3.06122
42 5E70 RCD 4.08163
43 5LX9 OLB 4.08163
44 5HCN DAO 4.08163
45 5LWY OLB 5.10204
46 2O1V ADP 5.10204
47 4DA5 0H7 5.10204
48 3D72 FAD 5.10204
49 5VRH PLM 5.10204
50 3P7N FMN 5.10204
51 5KBE IPH 5.10204
52 3WUR O4B 5.10204
53 3IS2 FAD 5.10204
54 2WM1 13P 5.10204
55 1UDY CS8 6.12245
56 2HFU MEV 6.12245
57 5IUY BOG 6.12245
58 4JNJ BTN 6.12245
59 1MID LAP 6.59341
60 5ZCO CHD 6.77966
61 5W97 CHD 6.77966
62 5Z84 PGV 6.77966
63 5ZCO PGV 6.77966
64 5GQX GLC GLC GLC 7.14286
65 3KO0 TFP 7.14286
66 4R38 RBF 7.14286
67 1YC4 43P 7.14286
68 4WUJ FMN 7.14286
69 2CIX CEJ 7.14286
70 1IND EOT 7.14286
71 2F2G HMH 7.14286
72 5C1M 4VO 7.14286
73 2Z6D FMN 7.14286
74 3DTU DXC 8.16327
75 4O08 PO6 8.16327
76 3HYW DCQ 8.16327
77 5DJU FMN 8.19672
78 3RV5 DXC 8.98876
79 5J32 IPM 9.18367
80 1NF8 BOG 9.18367
81 6BR8 PGV 10.2041
82 1ZGA HMK 10.2041
83 6BR9 PGV 10.2041
84 4MZU TDR 10.2041
85 3TKY N7I 10.2041
86 4RW3 TDA 10.2041
87 6BVM EBV 10.2041
88 4URX FK1 10.2041
89 6AP8 BNY 10.2041
90 2VDY HCY 10.2041
91 3WFD AXO 11.2245
92 2V95 HCY 11.2245
93 4HIA FMN 11.2245
94 3NJQ NJQ 12.2449
95 1T0S BML 13.2653
96 4OGQ 7PH 13.2653
97 1ZED PNP 14.2857
98 4IA6 EIC 15.3061
99 1AUA BOG 15.3061
100 2HFK E4H 15.3061
101 5DKK FMN 16.3265
102 5AIP 4HP 17.3469
103 2ALG DAO 17.3913
104 1JGS SAL 20.4082
105 1X8D RNS 24.4898
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