Receptor
PDB id Resolution Class Description Source Keywords
4E1O 1.8 Å EC: 4.1.1.22 HUMAN HISTIDINE DECARBOXYLASE COMPLEX WITH HISTIDINE METHYL (HME) HOMO SAPIENS HISTIDINE DECARBOXYLASE LYASE
Ref.: STRUCTURAL STUDY REVEALS THAT SER-354 DETERMINES SU SPECIFICITY ON HUMAN HISTIDINE DECARBOXYLASE J.BIOL.CHEM. V. 287 29175 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP PVH A:1000;
B:1000;
C:1000;
D:1000;
E:1000;
F:1000;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
396.296 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4E1O 1.8 Å EC: 4.1.1.22 HUMAN HISTIDINE DECARBOXYLASE COMPLEX WITH HISTIDINE METHYL (HME) HOMO SAPIENS HISTIDINE DECARBOXYLASE LYASE
Ref.: STRUCTURAL STUDY REVEALS THAT SER-354 DETERMINES SU SPECIFICITY ON HUMAN HISTIDINE DECARBOXYLASE J.BIOL.CHEM. V. 287 29175 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4E1O - PLP PVH n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4E1O - PLP PVH n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JS3 - PLP 142 n/a n/a
2 4E1O - PLP PVH n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PLP PVH; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP PVH 1 1
2 SER PLP 0.646341 0.78125
3 PLP ALO 0.563218 0.793651
4 PLP PHE 0.553191 0.793651
5 PLP 999 0.539326 0.765625
6 KOU 0.517241 0.746269
7 GLY PLP 0.505747 0.75
8 PL6 0.478261 0.731343
9 PLP ABU 0.473118 0.742424
10 PLP PUT 0.467391 0.710145
11 5DK 0.464646 0.732394
12 EQJ 0.464646 0.732394
13 PL5 0.463918 0.724638
14 P70 0.463918 0.769231
15 PUS 0.463918 0.716216
16 PLT 0.461538 0.818182
17 F0G 0.455556 0.765625
18 PLP MYB 0.45098 0.657895
19 EPC 0.443182 0.734375
20 Q0P 0.442308 0.73913
21 4LM 0.428571 0.731343
22 0JO 0.428571 0.720588
23 FEJ 0.427083 0.731343
24 PLP HSA 0.421569 0.823529
25 6DF 0.416667 0.723077
26 PLP 142 0.412844 0.746479
27 FEV 0.404255 0.720588
28 EVM 0.4 0.761194
Similar Ligands (3D)
Ligand no: 1; Ligand: PLP PVH; Similar ligands found: 1
No: Ligand Similarity coefficient
1 LJS 0.8549
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4E1O; Ligand: PLP PVH; 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: 4e1o.bio3) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4E1O; Ligand: PLP PVH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4e1o.bio3) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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