Receptor
PDB id Resolution Class Description Source Keywords
4KMZ 2.3 Å NON-ENZYME: SIGNAL_HORMONE HUMAN FOLATE RECEPTOR BETA (FOLR2) IN COMPLEX WITH THE FOLAT HOMO SAPIENS FOLATE RECEPTOR BETA FOLR2 FOLATE RECEPTOR FOLIC ACID FOMETHYLTETRAHYDROFOLATE ANTIFOLATES FOLATE-CONJUGATES GPIPROTEIN ON EUKARYOTIC MEMBRANE TRANSPORT PROTEIN MEMBRANE
Ref.: STRUCTURES OF HUMAN FOLATE RECEPTORS REVEAL BIOLOGI TRAFFICKING STATES AND DIVERSITY IN FOLATE AND ANTI RECOGNITION. PROC.NATL.ACAD.SCI.USA V. 110 15180 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K A:302;
 Invalid;
 none;
 submit data
39.098 K [K+]
FOL A:301;
 Valid;
 none;
 Kd = 2.7 nM
441.397 C19 H19 N7 O6 c1cc(...
NAG NAG B:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
CL A:303;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KMZ 2.3 Å NON-ENZYME: SIGNAL_HORMONE HUMAN FOLATE RECEPTOR BETA (FOLR2) IN COMPLEX WITH THE FOLAT HOMO SAPIENS FOLATE RECEPTOR BETA FOLR2 FOLATE RECEPTOR FOLIC ACID FOMETHYLTETRAHYDROFOLATE ANTIFOLATES FOLATE-CONJUGATES GPIPROTEIN ON EUKARYOTIC MEMBRANE TRANSPORT PROTEIN MEMBRANE
Ref.: STRUCTURES OF HUMAN FOLATE RECEPTORS REVEAL BIOLOGI TRAFFICKING STATES AND DIVERSITY IN FOLATE AND ANTI RECOGNITION. PROC.NATL.ACAD.SCI.USA V. 110 15180 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4KMZ Kd = 2.7 nM FOL C19 H19 N7 O6 c1cc(ccc1C....
2 4KN0 Kd = 40 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
3 4KN1 Kd = 144 nM 04J C19 H20 N8 O5 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4KMZ Kd = 2.7 nM FOL C19 H19 N7 O6 c1cc(ccc1C....
2 4KN0 Kd = 40 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
3 4KN1 Kd = 144 nM 04J C19 H20 N8 O5 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4KMZ Kd = 2.7 nM FOL C19 H19 N7 O6 c1cc(ccc1C....
2 4KN0 Kd = 40 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
3 4KN1 Kd = 144 nM 04J C19 H20 N8 O5 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FOL; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 FOL 1 1
2 28Z 0.617647 0.967742
3 29D 0.617647 0.967742
4 29C 0.617647 0.967742
5 DZF 0.58 0.983333
6 04J 0.545455 0.885246
7 FGD 0.524752 0.95
8 DHF 0.514563 0.863636
9 9L9 0.45 0.791045
10 FON 0.447368 0.802817
11 3TZ 0.447368 0.863636
12 THF 0.446429 0.780822
13 83A 0.445455 0.921875
14 TLL 0.436975 0.75
15 LYA 0.429907 0.875
16 FFO 0.429825 0.802817
17 THG 0.428571 0.863636
18 1YJ 0.428571 0.863636
19 C2F 0.421053 0.77027
20 MTX 0.410714 0.779412
Similar Ligands (3D)
Ligand no: 1; Ligand: FOL; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GPB 0.9445
2 DDF 0.9356
3 MOT 0.9261
4 GHW 0.9127
5 GHC 0.8834
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KMZ; Ligand: FOL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4kmz.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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