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 60 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 42 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 34 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 HCD 0.58427 0.921053
6 HC2 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: 56
This union binding pocket(no: 1) in the query (biounit: 1lri.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O4Z N2O 0.00762 0.45724 None
2 1N9L FMN 0.00106 0.4432 None
3 5SVV FMN 0.001058 0.43922 None
4 2Z6C FMN 0.001513 0.43641 None
5 3KP6 SAL 0.008697 0.4333 None
6 3T50 FMN 0.001979 0.43128 None
7 1U6R IOM 0.007637 0.42628 None
8 2V0U FMN 0.002616 0.42596 None
9 5EFW FMN 0.003888 0.41839 None
10 2VWA PTY 0.02035 0.41799 None
11 4EES FMN 0.003505 0.41681 None
12 5DJT FMN 0.004639 0.41501 None
13 5HSS 64Z 0.01663 0.41187 None
14 5U5G 7VD 0.02218 0.40969 None
15 2YLD CMO 0.02426 0.40737 None
16 1I06 TZL 0.02526 0.40673 None
17 1UO4 PIH 0.02242 0.40598 None
18 4A7W GTP 0.03414 0.40128 None
19 2PR5 FMN 0.002592 0.42614 2.04082
20 5E70 RCD 0.007872 0.44 4.08163
21 5HCN DAO 0.03349 0.4003 4.08163
22 4DA5 0H7 0.01802 0.41492 5.10204
23 5VRH PLM 0.04325 0.40843 5.10204
24 3P7N FMN 0.006589 0.4083 5.10204
25 5KBE IPH 0.02429 0.40763 5.10204
26 3WUR O4B 0.01236 0.40729 5.10204
27 2HFU MEV 0.01778 0.41696 6.12245
28 5GQX GLC GLC GLC 0.0005635 0.49336 7.14286
29 2Z6D FMN 0.001473 0.43693 7.14286
30 4R38 RBF 0.001799 0.42929 7.14286
31 1YC4 43P 0.007047 0.42193 7.14286
32 3KO0 TFP 0.02219 0.41354 7.14286
33 1IND EOT 0.02461 0.41276 7.14286
34 4UY1 TJM 0.01721 0.40703 7.14286
35 2F2G HMH 0.01822 0.40697 7.14286
36 4WUJ FMN 0.01015 0.40002 7.14286
37 3DTU DXC 0.00291 0.45429 8.16327
38 3HYW DCQ 0.01831 0.41433 8.16327
39 5DJU FMN 0.004696 0.41134 8.19672
40 5J32 IPM 0.01457 0.41921 9.18367
41 1NF8 BOG 0.02368 0.41313 9.18367
42 1ZGA HMK 0.006831 0.42258 10.2041
43 4MZU TDR 0.006778 0.42006 10.2041
44 4RW3 TDA 0.002135 0.41166 10.2041
45 4URX FK1 0.01613 0.40493 10.2041
46 2VDY HCY 0.03579 0.40053 10.2041
47 3WFD AXO 0.00327 0.4159 11.2245
48 2V95 HCY 0.02104 0.41096 11.2245
49 3NJQ NJQ 0.02115 0.41077 12.2449
50 4IA6 EIC 0.01451 0.41574 15.3061
51 1AUA BOG 0.03302 0.40062 15.3061
52 5DKK FMN 0.004459 0.41577 16.3265
53 5AIP 4HP 0.02516 0.41245 17.3469
54 2ALG DAO 0.005476 0.44259 17.3913
55 1JGS SAL 0.01653 0.40903 20.4082
56 1X8D RNS 0.01116 0.42612 24.4898
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