Receptor
PDB id Resolution Class Description Source Keywords
1JS3 2.25 Å EC: 4.1.1.28 CRYSTAL STRUCTURE OF DOPA DECARBOXYLASE IN COMPLEX WITH THE CARBIDOPA SUS SCROFA DOPA DECARBOXYLASE CARBIDOPA PARKINSON-prime S DISEASE VITAMIN
Ref.: STRUCTURAL INSIGHT INTO PARKINSON'S DISEASE TREATME DRUG-INHIBITED DOPA DECARBOXYLASE. NAT.STRUCT.BIOL. V. 8 963 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP 142 A:601;
B:602;
Valid;
Valid;
none;
none;
submit data
452.336 n/a [P+](...
SO4 A:802;
A:803;
B:801;
B:804;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JS3 2.25 Å EC: 4.1.1.28 CRYSTAL STRUCTURE OF DOPA DECARBOXYLASE IN COMPLEX WITH THE CARBIDOPA SUS SCROFA DOPA DECARBOXYLASE CARBIDOPA PARKINSON-prime S DISEASE VITAMIN
Ref.: STRUCTURAL INSIGHT INTO PARKINSON'S DISEASE TREATME DRUG-INHIBITED DOPA DECARBOXYLASE. NAT.STRUCT.BIOL. V. 8 963 2001
Members (1)
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
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 1JS3 - PLP 142 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 142; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 142 1 1
2 PLP ABU 0.484211 0.742424
3 PLP PHE 0.470588 0.822581
4 PLP PUT 0.463158 0.69697
5 PLP PVH 0.412844 0.746479
6 4LM 0.410526 0.731343
7 0JO 0.410526 0.720588
8 PLP MYB 0.407407 0.702703
9 PL6 0.4 0.757576
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JS3; Ligand: PLP 142; Similar sites found: 76
This union binding pocket(no: 1) in the query (biounit: 1js3.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R2N PMP 0.003903 0.42704 1.17647
2 5U23 TQP 0.01308 0.40468 1.57068
3 1DFO PLG 0.0002472 0.46478 1.67866
4 1VJO PLP 0.001514 0.4371 1.78117
5 1GCK ASP PLP 0.008296 0.40035 1.81818
6 2ZYJ PGU 0.00427 0.42128 2.01511
7 4WXG 2BO 0.0002712 0.46921 2.1028
8 2FNU PMP UD1 0.02115 0.40055 2.13333
9 1MDZ PLP 0.001877 0.44435 2.26337
10 1MDZ DCS 0.002003 0.44435 2.26337
11 4JE5 PMP 0.008266 0.41587 2.26337
12 4JE5 PLP 0.00844 0.41543 2.26337
13 2HOX P1T 0.006336 0.40202 2.34192
14 1YQC GLV 0.03637 0.40746 2.35294
15 5K8B PDG 0.004197 0.41524 2.48139
16 1FC4 AKB PLP 0.0001537 0.47138 2.49377
17 4LZJ 22H 0.005163 0.41457 2.64026
18 3WGC PLG 0.00009392 0.46978 2.6749
19 2FYF PLP 0.0005929 0.47698 2.76382
20 1LW4 TLP 0.0001916 0.46728 2.88184
21 1LW4 PLP 0.0001064 0.46647 2.88184
22 3E2Y PMP 0.001047 0.41481 2.92683
23 2WK9 PLG 0.004152 0.42863 3.08483
24 2WK9 PLP 0.005607 0.42013 3.08483
25 3BMQ AX5 0.0269 0.40037 3.125
26 5DJ3 5DK 0.001407 0.43011 3.19149
27 1XI9 PLP 0.007611 0.42212 3.20197
28 2XBN PMP 0.005481 0.41495 3.27869
29 4B98 PXG 0.004244 0.40529 3.34821
30 1DJ9 KAM 0.002622 0.4264 3.38542
31 4HVK PMP 0.0001535 0.43334 3.40314
32 1AJS PLA 0.000961 0.44507 3.64078
33 4E3Q PMP 0.002872 0.43805 3.8055
34 3OBK PBG 0.004004 0.42221 3.93258
35 3PD6 PMP 0.0003214 0.43101 3.99003
36 3PDB PMP 0.0004167 0.42949 3.99003
37 2ZC0 PMP 0.0007458 0.44631 4.1769
38 4LNL PLG 0.00005168 0.4733 4.2042
39 4LNL 2BO 0.0000895 0.47 4.2042
40 4LNL 2BK 0.009254 0.41829 4.2042
41 4UOX PUT 0.004287 0.4168 4.28266
42 4UOX PLP 0.008828 0.41033 4.28266
43 4UOX PLP PUT 0.007745 0.40167 4.28266
44 3FRK TQP 0.005837 0.42063 4.28954
45 4I9B 1KA 0.006598 0.40133 4.32099
46 2Z9V PXM 0.002274 0.45363 4.33673
47 1ELU PDA 0.0001208 0.47587 4.35897
48 1ELU CSS 0.0005978 0.45028 4.35897
49 4RKC PMP 0.002196 0.40855 4.52261
50 5W71 9YM 0.01531 0.411 4.54545
51 5W71 PLP 0.003592 0.40774 4.54545
52 2X5F PLP 0.0004308 0.42353 4.65116
53 3B8X G4M 0.002503 0.44116 4.87179
54 1W31 SHO 0.007037 0.43 4.97076
55 2R5E QLP 0.003266 0.41635 5.12821
56 2R5C C6P 0.00415 0.41185 5.12821
57 4R5Z PMP 0.0007885 0.42246 5.17711
58 1ZB6 GST 0.008448 0.41077 5.21173
59 1ZB6 DIN 0.008154 0.41012 5.21173
60 2OGA PGU 0.008125 0.40098 5.26316
61 1UU1 PMP HSA 0.003081 0.40505 5.67164
62 4FL0 PLP 0.01112 0.40559 5.70175
63 1TE2 PGA 0.02612 0.40417 5.75221
64 3ZRR PXG 0.00008332 0.48518 6.77083
65 1M32 PLP 0.004211 0.44032 7.10383
66 1WYV PLP AOA 0.0001775 0.46348 7.80591
67 2HZQ STR 0.01338 0.41592 8.04598
68 1B74 DGN 0.02891 0.40174 8.26772
69 4AZJ SEP PLP 0.0006531 0.43099 8.33333
70 3B1E P1T 0.002385 0.40766 8.41837
71 1QXA GLY GLY GLY 0.01848 0.41501 11.9149
72 1VJ7 GPX 0.006551 0.42647 12.2137
73 1PMO PLR 0.0000002576 0.55232 13.3745
74 5GVL PLG 0.001429 0.45821 14.4033
75 5GVL GI8 0.001429 0.45821 14.4033
76 3VP6 HLD 0.0000001362 0.61673 34.9794
Pocket No.: 2; Query (leader) PDB : 1JS3; Ligand: PLP 142; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 1js3.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q8A HCS 0.0112 0.42099 1.64609
2 3X01 AMP 0.02774 0.40092 2.54453
3 4ZM4 P3B 0.004398 0.40729 2.90828
4 4ZM4 PLP 0.002503 0.40172 2.90828
5 5WYF ILP 0.006107 0.40124 3.0303
6 4MPO AMP 0.0133 0.40498 4.57516
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