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Receptor
PDB id Resolution Class Description Source Keywords
4CPH 1.64 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN WITH LOVE-HATE LIGAND 4 STREPTOMYCES AVIDINII BIOTIN BINDING PROTEIN AVIDIN BIOTIN STRAIN BIOTINYLATEDCLASH STRAINED HINDERED FORCE LIGAND SERIES AFFINITY
Ref.: LOVE-HATE LIGANDS FOR HIGH RESOLUTION ANALYSIS OF S ULTRA-STABLE PROTEIN/SMALL MOLECULE INTERACTION. BIOORG.MED.CHEM. V. 22 5476 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LH4 B:1000;
C:1000;
Valid;
Valid;
none;
none;
submit data
784.965 C36 H44 N6 O8 S3 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CPH 1.64 Å NON-ENZYME: BINDING TRANS-DIVALENT STREPTAVIDIN WITH LOVE-HATE LIGAND 4 STREPTOMYCES AVIDINII BIOTIN BINDING PROTEIN AVIDIN BIOTIN STRAIN BIOTINYLATEDCLASH STRAINED HINDERED FORCE LIGAND SERIES AFFINITY
Ref.: LOVE-HATE LIGANDS FOR HIGH RESOLUTION ANALYSIS OF S ULTRA-STABLE PROTEIN/SMALL MOLECULE INTERACTION. BIOORG.MED.CHEM. V. 22 5476 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LH4; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 LH4 1 1
2 LH3 0.68932 0.7
3 LUV 0.465517 0.639535
4 6IR 0.431034 0.804598
5 KYS 0.427419 0.730769
6 5IR 0.425 0.793478
7 BNI 0.410714 0.619565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CPH; Ligand: LH4; Similar sites found with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 4cph.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL None
3 2HZQ STR None
4 4R38 RBF None
5 1QIN GIP None
6 2V0U FMN None
7 2YVE MBT None
8 5SVV FMN 1.5748
9 5DQ8 FLF 1.66667
10 3RGA ILD 2.3622
11 4CNO 9PY 2.3622
12 3FW4 CAQ 2.3622
13 3MTX PGT 2.3622
14 5DKK FMN 2.3622
15 1I7M PUT 3.14961
16 4YZ5 SLT 3.14961
17 5HA0 LTD 3.14961
18 3PE2 E1B 3.93701
19 5MF5 C2E 3.93701
20 3P3N AKG 3.93701
21 2XUM OGA 3.93701
22 5LY1 PPI 3.93701
23 1QY1 PRZ 3.93701
24 4F7E 0SH 3.93701
25 2Y0I AKG 3.93701
26 1OLM VTQ 4.51128
27 2GJ5 VD3 4.72441
28 3D72 FAD 4.72441
29 3IS2 FAD 4.72441
30 3E2M E2M 4.72441
31 5KD6 LBU 5.51181
32 5KD6 6C7 5.51181
33 5JSP DQY 5.51181
34 5HV0 AKG 5.51181
35 1K2V DEF 5.51181
36 1ZB6 GST 5.51181
37 4WUJ FMN 5.51181
38 5TFZ 7BC 5.51181
39 4D06 NAR 5.51181
40 5AYI BGC 5.51181
41 4FFG 0U8 6.29921
42 4FFG LBS 6.29921
43 5AIG VPR 6.4
44 3T50 FMN 7.03125
45 1V7R CIT 7.08661
46 1VA6 P2S 7.08661
47 1VA6 ADP 7.08661
48 6MPT C30 7.08661
49 2Z6D FMN 7.08661
50 1GQG DCD 7.08661
51 4MNS 2AX 7.87402
52 2JIG PD2 7.87402
53 3GM5 CIT 8.66142
54 5SWI BMA 8.66142
55 3HUJ AGH 8.66142
56 4IJP 1EH 8.66142
57 5KD8 TNR 9.44882
58 3BRN SRO 10.2362
59 5BU3 4W9 10.2362
60 1H2M OGA 11.5385
61 5EFW FMN 11.811
62 5DJU FMN 11.811
63 5U98 1KX 12.0301
64 5IXH OTP 12.5984
65 4M1U A2G MBG 12.8571
66 1VYF OLA 15.748
67 1N9L FMN 17.4312
68 5ML3 DL3 18.1102
69 5JWP AKG 31.5789
Pocket No.: 2; Query (leader) PDB : 4CPH; Ligand: LH4; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 4cph.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4BVM VCA None
2 3VZS NAP None
3 2YC5 6BC 2.3622
4 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 3.93701
5 2VVM PRO 3.93701
6 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 7.08661
7 1LBF 137 7.87402
8 1RM0 NAI 7.87402
9 1MEX RAC 15.748
10 2WKQ FMN 16.5414
11 5WKR NAR 17.3228
12 4QDC ASD 20.3008
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