Receptor
PDB id Resolution Class Description Source Keywords
5B3A 2.14 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF O-PHOSHOSERINE SULFHYDRYLASE FROM AEROP PERNIX IN COMPLEXED WITH THE ALPHA-AMINOACRYLATE INTERMEDIA AEROPYRUM PERNIX K1 CYSTEINE BIOSYNTHESIS SULFHYDRYLASE INTERMEDIATE EXTERNALBASE OF PLP WITH ALPHA-AMINO ACRYLATE TRANSFERASE
Ref.: ROLE OF F225 IN O-PHOSPHOSERINE SULFHYDRYLASE FROM PERNIX K1 EXTREMOPHILES V. 20 733 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0JO B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
316.204 C11 H13 N2 O7 P Cc1c(...
MPD B:401;
A:401;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5B3A 2.14 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF O-PHOSHOSERINE SULFHYDRYLASE FROM AEROP PERNIX IN COMPLEXED WITH THE ALPHA-AMINOACRYLATE INTERMEDIA AEROPYRUM PERNIX K1 CYSTEINE BIOSYNTHESIS SULFHYDRYLASE INTERMEDIATE EXTERNALBASE OF PLP WITH ALPHA-AMINO ACRYLATE TRANSFERASE
Ref.: ROLE OF F225 IN O-PHOSPHOSERINE SULFHYDRYLASE FROM PERNIX K1 EXTREMOPHILES V. 20 733 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5B36 - CYS C3 H7 N O2 S C([C@@H](C....
2 5B3A - 0JO C11 H13 N2 O7 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5B36 - CYS C3 H7 N O2 S C([C@@H](C....
2 5B3A - 0JO C11 H13 N2 O7 P Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5B36 - CYS C3 H7 N O2 S C([C@@H](C....
2 5B3A - 0JO C11 H13 N2 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0JO; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 0JO 1 1
2 4LM 0.71875 0.946429
3 KOU 0.647059 0.864407
4 Z98 0.625 0.809524
5 EXT 0.61194 0.830508
6 PL6 0.611111 0.87931
7 EPC 0.597015 0.857143
8 PZP 0.590164 0.807018
9 FOO 0.588235 0.877193
10 LLP 0.584416 0.796875
11 PLP 0.57377 0.803571
12 AN7 0.573529 0.839286
13 P3D 0.569444 0.738462
14 PUS 0.564103 0.73913
15 PL5 0.564103 0.836066
16 MPM 0.56338 0.844828
17 5DK 0.5625 0.784615
18 HCP 0.547945 0.803279
19 P89 0.530864 0.720588
20 6DF 0.526316 0.810345
21 PLP ABU 0.519481 0.770492
22 PLP PUT 0.513158 0.721311
23 PFM 0.5 0.864407
24 PLT 0.5 0.822581
25 O1G 0.465116 0.753846
26 PMP 0.462687 0.714286
27 P1T 0.460526 0.828125
28 PLR 0.453125 0.754386
29 PLP PHE 0.448276 0.79661
30 C6P 0.443038 0.753846
31 PP3 0.441558 0.738462
32 PDD 0.441558 0.738462
33 PDA 0.441558 0.738462
34 2BK 0.43038 0.738462
35 2BO 0.43038 0.738462
36 PLS 0.43038 0.753846
37 TLP 0.43038 0.738462
38 PLP PVH 0.428571 0.720588
39 PXP 0.426471 0.704918
40 PPD 0.425 0.753846
41 PLG 0.421053 0.727273
42 P0P 0.42029 0.77193
43 PY5 0.419753 0.710145
44 PY6 0.416667 0.690141
45 GT1 0.414286 0.68254
46 PLP 142 0.410526 0.720588
47 PGU 0.409639 0.731343
48 7XF 0.409639 0.731343
49 ILP 0.409639 0.716418
50 PDG 0.409639 0.731343
51 PPG 0.409091 0.8
52 QLP 0.404762 0.690141
53 IN5 0.402597 0.707692
54 IK2 0.4 0.720588
55 HEY 0.4 0.761194
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5B3A; Ligand: 0JO; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 5b3a.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VHL GLP 0.0206 0.4056 1.79949
2 4BGB ADP 0.005593 0.40978 3.07692
3 1U1J MET 0.01855 0.41574 3.08483
4 1J0D 5PA 0.0008613 0.41226 3.22581
5 2B4G FMN 0.005735 0.4059 3.47003
6 5E1Q LAT GLA 0.03123 0.40041 3.59897
7 4WZH FMN 0.007122 0.40048 4.03458
8 1PZM 5GP 0.0231 0.40307 4.2654
9 2BES RES 0.007303 0.41955 5.23256
10 3AYI FAD 0.02691 0.40023 6.94087
11 3AYI HCI 0.02787 0.40023 6.94087
12 2D0O ADP 0.01334 0.40327 7.2
13 1B4U DHB 0.01053 0.42498 7.94702
14 3MJY IJZ 0.008929 0.40429 11.8497
15 3MJY FMN 0.008929 0.40429 11.8497
16 1V7C HEY 0.0000003864 0.58337 12.5356
17 5IXJ THR 0.0001177 0.48194 16.4524
18 4D9C PMP 0.0002208 0.46173 17.2515
19 4D9M 0JO 0.0000002409 0.57957 17.9949
20 4QYS PLP SEP 0.0002035 0.44723 20.8226
21 4QYS PLR 0.002882 0.43889 20.8226
22 3PC3 P1T 0.0000000000001563 0.84567 24.6787
23 5I7A 68Q 0.000000079 0.58094 39.8773
24 3VC3 C6P 0.000000000001755 0.80196 42.1512
25 4JBL MET 0.00000002052 0.71932 43.6578
26 1D6S MET PLP 0.000000000002234 0.79029 44.7205
27 1D6S PLP MET 0.000000000008653 0.76225 44.7205
28 3ZEI AWH 0.00005354 0.53103 45.8064
Pocket No.: 2; Query (leader) PDB : 5B3A; Ligand: 0JO; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5b3a.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DNC ASN 0.02396 0.40227 2.05656
2 1GG6 APL 0.01868 0.40583 4.12371
3 4RQU NAD 0.0091 0.40017 4.37018
4 1P0Z FLC 0.03226 0.40155 4.58015
5 2BTM PGA 0.02654 0.40001 4.7619
Feedback