Receptor
PDB id Resolution Class Description Source Keywords
1GCK 2.5 Å EC: 2.6.1.1 THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTAN COMPLEXED WITH ASPARTATE THERMUS THERMOPHILUS AMINOTRANSFERASE DUAL-SUBSTRATE ENZYME PYRIDOXAL ENZYME TRANSFERASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF THERMOPHILIC DUAL-SUBSTRATE ENZYME J.BIOCHEM.(TOKYO) V. 130 89 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP PLP A:414;
B:914;
Valid;
Valid;
none;
none;
submit data
361.223 n/a [P+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GCK 2.5 Å EC: 2.6.1.1 THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTAN COMPLEXED WITH ASPARTATE THERMUS THERMOPHILUS AMINOTRANSFERASE DUAL-SUBSTRATE ENZYME PYRIDOXAL ENZYME TRANSFERASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF THERMOPHILIC DUAL-SUBSTRATE ENZYME J.BIOCHEM.(TOKYO) V. 130 89 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1GCK - ASP 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 9 families.
1 1GCK - ASP PLP n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GDE - GLU PLP n/a n/a
2 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
3 1U08 - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 1GCK - ASP PLP n/a n/a
5 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP PLP; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP PLP 1 1
2 PLP CYS 0.80303 0.927273
3 SER PLP 0.787879 0.927273
4 GLU PLP 0.768116 0.962963
5 SEP PLP 0.764706 0.962264
6 PLP SEP 0.764706 0.962264
7 LEU PLP 0.753623 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 0.909091
12 PLP TYR 0.684211 0.927273
13 PLP BH2 0.676056 0.909091
14 GLY PLP 0.637681 0.962264
15 PLP 0A0 0.578947 0.928571
16 PLP 2ML 0.556962 0.894737
17 PLP ALO 0.532468 0.847458
18 PLP HSA 0.511628 0.803279
19 PLP 2KZ 0.506329 0.847458
20 PLP SUO 0.505495 0.83871
21 CAN PLP 0.482353 0.825397
22 PLP PMP 0.467532 0.813559
23 TZA PLP 0.43617 0.836066
24 GBC PLP 0.433333 0.833333
25 GAB PLP 0.433333 0.833333
26 PMP HSA 0.408602 0.777778
27 PLP ABU 0.402299 0.875
28 PPD 0.4 0.85
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GCK; Ligand: ASP PLP; Similar sites found: 72
This union binding pocket(no: 1) in the query (biounit: 1gck.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CQG 55C 0.006193 0.4322 2.01342
2 4ZM4 PLP 0.003252 0.42832 2.85714
3 4AZJ SEP PLP 0.0019 0.42465 3.05556
4 1DJ9 KAM 0.0003049 0.47056 3.125
5 2FNU PMP UD1 0.004189 0.4297 3.2
6 4A91 GLU 0.009619 0.41921 3.3557
7 5KGS 6SR 0.01563 0.4103 3.37662
8 5U23 TQP 0.002648 0.43256 3.40314
9 1E5F PLP 0.00007326 0.46516 3.63636
10 4RQL SNE 0.01209 0.41394 3.63636
11 4BA5 PXG 0.004193 0.41916 3.8961
12 5ENZ UDP 0.008812 0.40104 3.8961
13 1FC4 AKB PLP 0.001751 0.42423 4.15584
14 2TPL HPP 0.001114 0.44169 4.41558
15 2XBN PMP 0.003829 0.41836 4.41558
16 1DFO PLG 0.004287 0.40776 4.67532
17 5GVL PLG 0.006941 0.42287 5.45455
18 5GVL GI8 0.006941 0.42287 5.45455
19 3VP6 HLD 0.004565 0.41348 5.97403
20 4IYO 0JO 0.0005551 0.44533 6.75325
21 4IY7 KOU 0.0005723 0.44477 6.75325
22 4IY7 0JO 0.0006342 0.44288 6.75325
23 3ZRR PXG 0.000679 0.44163 7.8125
24 2V2V V12 0.02265 0.40014 8.48709
25 2HOX P1T 0.0000000001251 0.71432 9.09091
26 3B8X G4M 0.007326 0.41646 10.1299
27 4UHO PLP 0.008073 0.42749 11.1688
28 3WGC PLG 0.0008283 0.42344 11.4369
29 2PO3 T4K 0.00782 0.41518 11.9481
30 5K8B PDG 0.001405 0.43211 12.1588
31 4K2M O1G 0.001268 0.43402 12.4675
32 4LNL PLG 0.001475 0.40902 13.2132
33 4LNL 2BO 0.002178 0.40708 13.2132
34 5DJ3 5DK 0.0000716 0.4775 13.2979
35 3DR4 G4M 0.003715 0.43426 14.026
36 5X30 7XF 0.00009413 0.48289 14.2857
37 5X2Z 3LM 0.0002273 0.4717 14.2857
38 5X30 4LM 0.0003162 0.46488 14.2857
39 5W70 9YM 0.0006791 0.44163 15.5844
40 2OGA PGU 0.001954 0.42413 15.5844
41 3BWN PMP PHE 0.00000001993 0.63647 15.8442
42 3BWN PMP 0.000000007009 0.59643 15.8442
43 1B9I PXG 0.005628 0.40795 15.8442
44 5W71 9YM 0.003469 0.43771 16.6234
45 5W71 PLP 0.0007729 0.43034 16.6234
46 3FRK TQP 0.002569 0.43314 16.8901
47 1LW4 TLP 0.0008676 0.43245 19.3084
48 1LW4 PLP 0.0005135 0.43187 19.3084
49 4RKC PMP 0.00000005942 0.64708 19.4805
50 2AY3 MPP 0.0000009173 0.53248 20
51 2WK9 PLG 0.0003544 0.47286 22.5974
52 2WK9 PLP 0.0004306 0.46614 22.5974
53 1GEX PLP HSA 0.000003338 0.55137 24.4382
54 1LC8 33P 0.0000009301 0.57776 25.2747
55 1C7O PPG 0.000002061 0.54809 27.2727
56 3CQ5 PMP 0.0000002188 0.51137 32.7913
57 3EI9 PL6 0.000000009825 0.60881 36.3426
58 4JE5 PMP 0.000001059 0.60636 36.3636
59 4JE5 PLP 0.000001283 0.60233 36.3636
60 1M7Y PPG 0.0000006079 0.59229 36.6234
61 4M2K PLP 0.0000001811 0.51811 36.8831
62 1UU1 PMP HSA 0.000001239 0.56018 37.6119
63 2ZYJ PGU 0.000000006815 0.671 38.0353
64 2X5F PLP 0.0000000006337 0.62212 38.4416
65 3B1E P1T 0.0000002811 0.55252 40.2597
66 4FL0 PLP 0.0000000272 0.57886 41.2987
67 4R5Z PMP 0.000001642 0.53239 41.6894
68 4R5Z SIN 0.000007775 0.46954 41.6894
69 2R2N PMP 0.000000004071 0.71176 43.6364
70 2R2N KYN 0.000000002772 0.55544 43.6364
71 3E2Y PMP 0.000000004285 0.60354 43.8961
72 2X5D PLP 0.0000001366 0.50574 48.5714
Pocket No.: 2; Query (leader) PDB : 1GCK; Ligand: ASP PLP; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 1gck.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZC9 PMP 0.008193 0.40059 1.55844
2 2C29 NAP 0.02657 0.40517 1.78042
3 1JS3 PLP 142 0.008296 0.40035 1.81818
4 4WVW SLT 0.01308 0.40699 2.08333
5 5UAO FAD 0.02406 0.40467 3.11688
6 1VJO PLP 0.005116 0.40373 3.11688
7 4E3Q PMP 0.002482 0.40465 4.15584
8 2FYF PLP 0.001013 0.41105 4.41558
9 1VGV UD1 0.01241 0.40377 5.46875
10 5U83 ZN8 0.01161 0.4157 6.13208
11 5G09 6DF 0.008372 0.40202 6.75325
12 2Z9V PXM 0.001241 0.40439 8.05195
13 1MDZ PLP 0.007882 0.41932 8.57143
14 1MDZ DCS 0.009349 0.41704 8.57143
15 5ITZ GDP 0.01004 0.40354 11.811
16 1WYV PLP AOA 0.006007 0.40455 14.026
17 5WYF ILP 0.003619 0.41814 18.7013
18 1CL2 PPG 0.003873 0.41684 18.961
19 4ADC PLP 0.01108 0.40376 24.6753
20 3FQ8 PMP 0.006689 0.41148 27.013
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