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 473 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 355 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 272 families.
1 4CPH - LH4 C36 H44 N6 O8 S3 c1cc(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LH4; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 LH4 1 1
2 LH3 0.68932 0.7
3 LUV 0.465517 0.639535
4 KYS 0.427419 0.730769
5 5IR 0.425 0.793478
6 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: 38
This union binding pocket(no: 1) in the query (biounit: 4cph.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HZQ STR 0.006034 0.42831 None
2 5SVV FMN 0.01125 0.40335 1.5748
3 5DQ8 FLF 0.01111 0.41696 1.66667
4 3RGA ILD 0.008051 0.41517 2.3622
5 4CNO 9PY 0.01447 0.40681 2.3622
6 3FW4 CAQ 0.01593 0.40269 2.3622
7 3MTX PGT 0.02545 0.40065 2.3622
8 5DKK FMN 0.01306 0.40035 2.3622
9 1I7M PUT 0.0148 0.41947 3.14961
10 5HA0 LTD 0.0155 0.40469 3.14961
11 4GJY OGA 0.002148 0.45366 3.93701
12 3PE2 E1B 0.007193 0.44011 3.93701
13 5MF5 C2E 0.01341 0.40623 3.93701
14 3P3N AKG 0.01788 0.40298 3.93701
15 2XUM OGA 0.01827 0.40258 3.93701
16 2Y0I AKG 0.02043 0.40087 3.93701
17 1OLM VTQ 0.004106 0.43212 4.51128
18 2GJ5 VD3 0.01043 0.42519 4.72441
19 3IS2 FAD 0.01849 0.40372 4.72441
20 1K2V DEF 0.008921 0.40818 5.51181
21 1ZB6 GST 0.01645 0.40745 5.51181
22 4WUJ FMN 0.009546 0.40483 5.51181
23 4FFG 0U8 0.001145 0.45361 6.29921
24 4FFG LBS 0.01897 0.40113 6.29921
25 5AIG VPR 0.002379 0.43539 6.4
26 1GQG DCD 0.0148 0.40114 7.08661
27 4MNS 2AX 0.03495 0.40774 7.87402
28 3GM5 CIT 0.0001932 0.42466 8.66142
29 5SWI BMA 0.00468 0.42354 8.66142
30 4IJP 1EH 0.01078 0.40421 8.66142
31 3BRN SRO 0.01414 0.41043 10.2362
32 5BU3 4W9 0.009978 0.40751 10.2362
33 1H2M OGA 0.01976 0.40067 11.5385
34 5U98 1KX 0.0364 0.41313 12.0301
35 5IXH OTP 0.0348 0.40379 12.5984
36 1VYF OLA 0.01552 0.40173 15.748
37 1KTC NGA 0.01832 0.40166 17.2932
38 5ML3 DL3 0.00276 0.45367 18.1102
Pocket No.: 2; Query (leader) PDB : 4CPH; Ligand: LH4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4cph.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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