Receptor
PDB id Resolution Class Description Source Keywords
4AZJ 1.5 Å EC: 2.6.1.52 STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACILLUS ALCA PHOSPHOSERINE AMINOTRANSFERASE BACILLUS ALCALOPHILUS TRANSFERASE
Ref.: STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACI ALCALOPHILUS PHOSPHOSERINE AMINOTRANSFERASE ACTA CRYSTALLOGR.,SECT.D V. 69 804 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SEP PLP B:500;
A:500;
Valid;
Valid;
none;
none;
submit data
412.184 n/a [P+](...
CL B:1361;
A:1361;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NA A:1362;
A:1363;
B:1362;
Invalid;
Part of Protein;
Invalid;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AZJ 1.5 Å EC: 2.6.1.52 STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACILLUS ALCA PHOSPHOSERINE AMINOTRANSFERASE BACILLUS ALCALOPHILUS TRANSFERASE
Ref.: STRUCTURAL BASIS OF L-PHOSPHOSERINE BINDING TO BACI ALCALOPHILUS PHOSPHOSERINE AMINOTRANSFERASE ACTA CRYSTALLOGR.,SECT.D V. 69 804 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4AZJ - SEP PLP 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 2 families.
1 4AZJ - SEP PLP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4AZJ - SEP PLP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SEP PLP; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 SEP PLP 1 1
2 PLP SEP 1 1
3 SER PLP 0.787879 0.962963
4 PLP CYS 0.776119 0.927273
5 ASP PLP 0.764706 0.962264
6 LEU PLP 0.753623 0.927273
7 GLU PLP 0.742857 0.927273
8 PLP SER 0.716418 0.925926
9 MET PLP 0.712329 0.85
10 PLP MET 0.712329 0.85
11 PLP 2TL 0.685714 0.944444
12 PLP TYR 0.684211 0.927273
13 PLP BH2 0.676056 0.944444
14 GLY PLP 0.614286 0.925926
15 PLP 0A0 0.558442 0.894737
16 PLP 2ML 0.556962 0.894737
17 PLP HSA 0.547619 0.803279
18 PLP ALO 0.532468 0.87931
19 PLP SUO 0.48913 0.809524
20 PLP 2KZ 0.4875 0.847458
21 CAN PLP 0.482353 0.796875
22 PLP PMP 0.467532 0.813559
23 TZA PLP 0.451613 0.836066
24 GAB PLP 0.433333 0.833333
25 GBC PLP 0.433333 0.833333
26 PPD 0.4 0.819672
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AZJ; Ligand: SEP PLP; Similar sites found: 58
This union binding pocket(no: 1) in the query (biounit: 4azj.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GEX PLP HSA 0.001307 0.4349 1.1236
2 5KGS 6SR 0.01166 0.41327 1.38889
3 1PMO PLR 0.0002349 0.43321 1.66667
4 1FC4 AKB PLP 0.00001742 0.49343 1.94444
5 1DFO PLG 0.0002445 0.45358 2.22222
6 4RKC PMP 0.001064 0.45273 2.22222
7 5GVL GI8 0.001661 0.44764 2.22222
8 5GVL PLG 0.001661 0.44764 2.22222
9 4UOX PUT 0.002206 0.43367 2.22222
10 4UOX PLP 0.003986 0.43038 2.22222
11 4UOX PLP PUT 0.002594 0.42643 2.22222
12 3B1E P1T 0.0003209 0.42547 2.22222
13 2ZC0 PMP 0.0003059 0.46765 2.5
14 1M7Y PPG 0.003273 0.4237 2.5
15 2Z9V PXM 0.000006281 0.58878 2.77778
16 1VJO PLP 0.00005392 0.46191 2.77778
17 1XI9 PLP 0.001543 0.46043 2.77778
18 2R5E QLP 0.0006442 0.43586 2.77778
19 2R5C C6P 0.0007191 0.43376 2.77778
20 1GCK ASP PLP 0.0019 0.42465 3.05556
21 4ZSY RW2 0.006008 0.40015 3.05556
22 1UU1 PMP HSA 0.00167 0.42336 3.28358
23 1M32 PLP 0.0000009676 0.63591 3.33333
24 2R2N PMP 0.007262 0.41797 3.33333
25 5G4J EXT 0.003891 0.41491 3.33333
26 3BWN PMP PHE 0.005391 0.40211 3.33333
27 4BA5 PXG 0.006054 0.41374 4.13943
28 4UHO PLP 0.002261 0.45767 4.16667
29 1C7O PPG 0.003974 0.411 4.16667
30 2X5F PLP 0.0008494 0.40467 4.16667
31 1DJ9 KAM 0.001144 0.44662 4.44444
32 2WK9 PLG 0.0001463 0.48542 4.72222
33 2WK9 PLP 0.0003011 0.4687 4.72222
34 4JE5 PLP 0.001775 0.45209 5
35 4JE5 PMP 0.002062 0.44891 5
36 5X30 7XF 0.007202 0.40326 5.27778
37 4LNL PLG 0.001412 0.40596 5.70571
38 4LNL 2BO 0.002043 0.40414 5.70571
39 2CJH AKG 0.01129 0.40142 5.83333
40 1ELU PDA 0.0001419 0.45823 6.11111
41 1ELU CSS 0.001548 0.42473 6.11111
42 3E2Y PMP 0.0001347 0.43239 6.38889
43 1GDE GLU PLP 0.001347 0.41994 6.38889
44 4WXG 2BO 0.0001995 0.44764 6.94444
45 4R5Z PMP 0.002222 0.41297 7.22222
46 3EI9 PL6 0.001089 0.4196 7.77778
47 1AJS PLA 0.002443 0.42003 8.05556
48 5WYF ILP 0.0004283 0.44438 8.33333
49 1JS3 PLP 142 0.0006531 0.43099 8.33333
50 2HOX P1T 0.001948 0.41382 8.33333
51 3VP6 HLD 0.0001794 0.4698 8.61111
52 2ZYJ PGU 0.002821 0.4222 8.88889
53 4E1O PLP PVH 0.000136 0.46124 9.16667
54 4B98 PXG 0.0001201 0.45678 9.72222
55 3ZRR PXG 0.00000001078 0.63009 10.2778
56 4ZM4 PLP 0.004227 0.42489 10.2778
57 4ZM4 P3B 0.005385 0.40537 10.2778
58 4HVK PMP 0.0002983 0.41199 19.3717
Pocket No.: 2; Query (leader) PDB : 4AZJ; Ligand: SEP PLP; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 4azj.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KDX GAL TNR 0.02769 0.40055 1.38889
2 2VOH CIT 0.003094 0.45235 7.64331
3 4ZEV M6P 0.0148 0.40114 8.44595
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