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+](...
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
Ligand no: 1; Ligand: PLP PVH; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP PVH 1 1
2 PLP PHE 0.553191 0.793651
3 KOU 0.517241 0.746269
4 PL6 0.478261 0.731343
5 PLP ABU 0.473118 0.742424
6 PLP PUT 0.467391 0.69697
7 5DK 0.464646 0.732394
8 PUS 0.463918 0.716216
9 PL5 0.463918 0.724638
10 PLT 0.461538 0.818182
11 PLP MYB 0.45098 0.657895
12 EPC 0.443182 0.734375
13 PLP HSA 0.435644 0.875
14 0JO 0.428571 0.720588
15 4LM 0.428571 0.731343
16 6DF 0.416667 0.723077
17 PLP 142 0.412844 0.746479
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4E1O; Ligand: PLP PVH; Similar sites found: 52
This union binding pocket(no: 1) in the query (biounit: 4e1o.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DFO PLG 0.0005101 0.43575 1.19904
2 5GVL GI8 0.003553 0.42956 1.58371
3 5GVL PLG 0.003553 0.42956 1.58371
4 4CME KTZ 0.008744 0.41997 1.73611
5 1M32 PLP 0.0003431 0.50399 1.91257
6 4R5Z PMP 0.001931 0.4191 2.079
7 4R5Z SIN 0.001304 0.40369 2.079
8 2R2N PMP 0.01097 0.41107 2.11765
9 4B98 PXG 0.001024 0.41332 2.23214
10 3BWN PMP 0.01654 0.4025 2.30179
11 4WXG 2BO 0.000778 0.42988 2.33645
12 4UHO PLP 0.007124 0.43376 2.35043
13 5U23 TQP 0.007696 0.40584 2.35602
14 2FYF PLP 0.0002249 0.41195 2.51256
15 5EDL VIB 0.01902 0.40334 2.53807
16 5FQK 6NT 0.02359 0.40612 2.60223
17 1Q8A HCS 0.009188 0.42902 2.7027
18 1FC4 AKB PLP 0.0003143 0.46444 2.74314
19 3PD6 PMP 0.002039 0.45099 2.99252
20 3PDB PMP 0.001055 0.40104 2.99252
21 1U08 PLP 0.01271 0.41198 3.10881
22 4ZM4 PLP 0.006847 0.41685 3.13199
23 4ZM4 P3B 0.007262 0.40153 3.13199
24 2J8R MSL 0.01489 0.42043 3.48837
25 2JBM SRT 0.03082 0.41233 3.67893
26 4I9B 1KA 0.01349 0.42521 3.7422
27 2WK9 PLG 0.006249 0.41096 3.85604
28 2I6U NVA 0.0311 0.40051 3.90879
29 3E2Y PMP 0.006083 0.42336 4.14634
30 5IWQ PLP 0.01517 0.4043 4.14747
31 4JE5 PLP 0.008546 0.42046 4.158
32 4JE5 PMP 0.009141 0.41902 4.158
33 2ZWS PLM 0.03492 0.41071 4.158
34 2R5E QLP 0.007487 0.40097 4.1958
35 2PYY GLU 0.01598 0.41118 4.38596
36 1DJ9 KAM 0.005752 0.41648 4.42708
37 1WYV PLP AOA 0.00006588 0.49945 4.5738
38 4RKC PMP 0.005535 0.42117 4.77387
39 3WGC PLG 0.001392 0.44463 5.27859
40 5G1N PAL 0.01286 0.40401 5.73248
41 1LW4 TLP 0.002073 0.40338 6.62824
42 1LW4 PLP 0.001262 0.40338 6.62824
43 3B1E P1T 0.007921 0.41388 6.63265
44 1PMO PLR 0.0000001118 0.53206 6.65236
45 3CQ5 PMP 0.007152 0.43367 6.77507
46 1AJS PLA 0.00117 0.42987 7.52427
47 1ELU PDA 0.00005526 0.46678 8.71795
48 1ELU CSS 0.0005883 0.43597 8.71795
49 4AZJ SEP PLP 0.000136 0.46124 9.16667
50 1MDZ PLP 0.01061 0.40105 11.7048
51 4QXB OGA 0.01976 0.40652 17.6471
52 3VP6 HLD 0.0000000205 0.62931 30.9771
Pocket No.: 2; Query (leader) PDB : 4E1O; Ligand: PLP PVH; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 4e1o.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NZ5 226 0.00724 0.46621 2.17918
2 5CDH TLA 0.01554 0.40708 2.9106
3 2WK9 PLP 0.007245 0.4057 3.85604
4 5HX1 UMP 0.02946 0.40125 4.34783
5 4FAI PBD 0.01554 0.41621 4.84848
6 5IXG OTP 0.02049 0.40028 5.32544
7 1YQC GLV 0.02389 0.40324 5.88235
8 1MDZ DCS 0.01043 0.40255 11.7048
Feedback