Receptor
PDB id Resolution Class Description Source Keywords
2ZC0 2.3 Å EC: 2.6.1.44 CRYSTAL STRUCTURE OF AN ARCHAEAL ALANINE:GLYOXYLATE AMINOTRA THERMOCOCCUS LITORALIS ALANINE:GLYOXYLATE AMINOTRANSFERASE ARCHAEA THERMOCOCCUS LTRANSFERASE
Ref.: STRUCTURE OF AN ARCHAEAL ALANINE:GLYOXYLATE AMINOTR ACTA CRYSTALLOGR.,SECT.D V. 64 696 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMD A:410;
B:410;
C:410;
D:410;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
69.085 C3 H5 N2 c1c[n...
PMP A:409;
B:409;
C:409;
D:409;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
ZN A:408;
B:408;
C:408;
D:408;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZC0 2.3 Å EC: 2.6.1.44 CRYSTAL STRUCTURE OF AN ARCHAEAL ALANINE:GLYOXYLATE AMINOTRA THERMOCOCCUS LITORALIS ALANINE:GLYOXYLATE AMINOTRANSFERASE ARCHAEA THERMOCOCCUS LTRANSFERASE
Ref.: STRUCTURE OF AN ARCHAEAL ALANINE:GLYOXYLATE AMINOTR ACTA CRYSTALLOGR.,SECT.D V. 64 696 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZC0 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZC0 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DC1 - AKG C5 H6 O5 C(CC(=O)O)....
2 4GEB - 0LD C20 H20 N5 O7 P Cc1c(c(c(c....
3 2XH1 - BF5 PLP n/a n/a
4 2R2N - KYN C10 H12 N2 O3 c1ccc(c(c1....
5 2ZP7 - LEU C6 H13 N O2 CC(C)C[C@@....
6 2Z1Y - LEU PLP n/a n/a
7 2ZC0 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 PLG 0.57377 0.866667
5 IN5 0.57377 0.912281
6 P1T 0.571429 0.825397
7 PLR 0.557692 0.781818
8 2BO 0.553846 0.881356
9 TLP 0.553846 0.881356
10 2BK 0.553846 0.881356
11 PP3 0.546875 0.881356
12 PDA 0.546875 0.881356
13 PDD 0.546875 0.881356
14 ILP 0.544118 0.852459
15 33P 0.538462 0.896552
16 IK2 0.538462 0.825397
17 5PA 0.530303 0.825397
18 PLS 0.530303 0.866667
19 PMH 0.530303 0.742857
20 PLP 0.527273 0.767857
21 C6P 0.522388 0.866667
22 PPD 0.522388 0.866667
23 ORX 0.521127 0.854839
24 PXM 0.52 0.735849
25 PZP 0.517857 0.836364
26 PLA 0.514706 0.8125
27 PY5 0.514706 0.8125
28 PL2 0.514286 0.84127
29 QLP 0.514286 0.815385
30 PE1 0.513889 0.854839
31 PPG 0.513514 0.825397
32 P0P 0.508772 0.8
33 HEY 0.507042 0.8125
34 CBA 0.5 0.83871
35 PGU 0.5 0.83871
36 7TS 0.5 0.702703
37 EA5 0.5 0.828125
38 3LM 0.5 0.787879
39 PDG 0.5 0.83871
40 7XF 0.5 0.83871
41 9YM 0.493151 0.868852
42 LCS 0.492958 0.675676
43 PMG 0.492958 0.787879
44 DCS 0.492958 0.712329
45 76U 0.486111 0.825397
46 PY6 0.486111 0.787879
47 PL4 0.48 0.854839
48 PSZ 0.479452 0.8
49 N5F 0.479452 0.825397
50 4LM 0.462687 0.725806
51 0JO 0.462687 0.714286
52 AN7 0.461538 0.741379
53 PXG 0.460526 0.866667
54 RW2 0.460526 0.8
55 FOO 0.454545 0.75
56 PL8 0.454545 0.732394
57 GLY PLP 0.454545 0.779661
58 NPL 0.45 0.898305
59 KAM 0.448718 0.825397
60 1D0 0.444444 0.8
61 7B9 0.443038 0.764706
62 2B1 0.443038 0.690141
63 P3D 0.442857 0.85
64 PLP SER 0.441176 0.779661
65 EPC 0.439394 0.789474
66 MP5 0.438596 0.728814
67 EXT 0.432836 0.79661
68 PLP PMP 0.432836 0.770492
69 AQ3 0.426829 0.8125
70 2B6 0.426829 0.662162
71 PLP ALO 0.422535 0.833333
72 MPM 0.414286 0.75
73 KOU 0.408451 0.8
74 SER PLP 0.402778 0.813559
75 HCP 0.402778 0.741935
76 PLP 2TL 0.402778 0.79661
77 Z98 0.4 0.777778
78 PFM 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: 92
This union binding pocket(no: 1) in the query (biounit: 2zc0.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PMO PLR 0.0002708 0.44768 2.2113
2 5GVL PLG 0.008314 0.42587 2.2113
3 5GVL GI8 0.008314 0.42587 2.2113
4 4UP4 GAL NAG 0.01899 0.40736 2.24439
5 2WK9 PLG 0.0002911 0.48596 2.31362
6 2WK9 PLP 0.0003057 0.48197 2.31362
7 2FNU PMP UD1 0.001176 0.46288 2.4
8 4ZM4 PLP 0.00258 0.42891 2.457
9 4AZJ SEP PLP 0.0003059 0.46765 2.5
10 2Z9V PXM 0.003917 0.43961 2.80612
11 2GMM MAN MAN 0.001349 0.46846 3.1746
12 2GN3 MAN 0.005337 0.42637 3.1746
13 2GN3 MMA 0.006449 0.41349 3.1746
14 2PHR MAN MAN BMA MAN 0.01475 0.40598 3.1746
15 5W70 9YM 0.00003482 0.50717 3.1941
16 1CL2 PPG 0.00137 0.43677 3.29114
17 1LOB MMA 0.01361 0.40771 3.31492
18 2CBZ ATP 0.0231 0.40129 3.37553
19 3VP6 HLD 0.00687 0.41253 3.4398
20 5K8B PDG 0.0002286 0.47533 3.47395
21 3ZRR PXG 0.0002576 0.46881 4.16667
22 1JS3 PLP 142 0.0007458 0.44631 4.1769
23 2FYF PLP 0.00009946 0.51283 4.27136
24 1LW4 TLP 0.0008925 0.44289 4.32277
25 1LW4 PLP 0.0006478 0.44183 4.32277
26 3WGC PLG 0.0002028 0.46289 4.39883
27 1DFO PLG 0.001329 0.43736 4.914
28 4K2M O1G 0.0001534 0.48307 5.15971
29 4HVK PMP 0.0008463 0.41325 5.2356
30 4UHO PLP 0.00702 0.42678 5.65111
31 4E3Q PMP 0.0009144 0.41933 5.65111
32 2HOX P1T 0.0000001444 0.60917 6.14251
33 4BA5 PXG 0.002469 0.42548 6.38821
34 1WYV PLP AOA 0.004573 0.40972 6.63391
35 1DJ9 KAM 0.00004099 0.50483 7.8125
36 3BWN PMP 0.000000007643 0.62929 7.92839
37 3BWN PMP PHE 0.0000003534 0.59801 7.92839
38 4IAW LIZ 0.01536 0.40097 7.97872
39 4LNL PLG 0.0002018 0.45641 10.5105
40 4LNL 2BO 0.0003484 0.45241 10.5105
41 2XBN PMP 0.0002416 0.47997 10.5651
42 3B8X G4M 0.001468 0.45589 11.0256
43 4IYO 0JO 0.0005802 0.45325 11.335
44 4IY7 KOU 0.0005047 0.43984 11.335
45 4IY7 0JO 0.0005458 0.43752 11.335
46 5X30 7XF 0.00008677 0.47783 12.0603
47 5X2Z 3LM 0.000522 0.46482 12.0603
48 5X30 4LM 0.0005589 0.44954 12.0603
49 1OXO IK2 0.00000009318 0.42971 12.9676
50 1ELU PDA 0.001335 0.43522 13.0769
51 1ELU CSS 0.006574 0.40846 13.0769
52 1LC8 33P 0.00000001797 0.54477 13.1868
53 1E5F PLP 0.00008399 0.48075 13.3663
54 2OGA PGU 0.000304 0.46777 14.0351
55 5U23 TQP 0.000196 0.49243 14.1361
56 3FRK TQP 0.0003948 0.47835 15.0134
57 5DJ3 5DK 0.0002445 0.46756 15.1596
58 2TPL HPP 0.0004825 0.40634 15.7248
59 4ZAH T5K 0.0004507 0.40227 16.9192
60 5W71 9YM 0.0002267 0.50157 16.9533
61 5W71 PLP 0.00006841 0.4893 16.9533
62 1C7O PPG 0.0002616 0.44822 17.5439
63 2AY3 MPP 0.00274 0.4089 18.0203
64 3NUB UD0 0.0001634 0.40164 18.1059
65 3PDB PMP 0.000000001151 0.65906 19.202
66 3PD6 PMP 0.000000004097 0.62583 19.202
67 4RKC PMP 0.0000000003417 0.74267 20.603
68 1B9I PXG 0.0008597 0.45151 20.6186
69 1TOI HCI 0.000668 0.49668 23.4848
70 1AJS PLA 0.000000002952 0.69665 23.8329
71 3B1E P1T 0.00007218 0.47635 23.9796
72 2X5F PLP 0.0000000008324 0.64827 24.0786
73 1M7Y PPG 0.0000008485 0.59983 24.57
74 1UU1 PMP HSA 0.000000007001 0.61654 25.3731
75 1FC4 AKB PLP 0.0004197 0.45726 26.1845
76 1GEX PLP HSA 0.00000001873 0.66621 27.2472
77 5IWQ PLP 0.0000002092 0.62459 28.0098
78 3CQ5 PMP 0.00000000509 0.59225 28.7263
79 3E2Y PMP 0.000000001153 0.65992 28.9926
80 2R5C C6P 0.00000001467 0.6561 31.941
81 2R5E QLP 0.00000001909 0.65106 31.941
82 4M2K PLP 0.00000004972 0.56839 33.0049
83 4R5Z PMP 0.00000001352 0.59348 34.8774
84 4R5Z SIN 0.00000002554 0.5313 34.8774
85 4FL0 PLP 0.00000001342 0.6182 38.3292
86 3EI9 PL6 0.00000001193 0.58309 38.8889
87 1U08 PLP 0.000000003273 0.62979 39.8964
88 2X5D PLP 0.000000001802 0.58095 41.769
89 4JE5 PMP 0.0000000001293 0.78786 44.9631
90 4JE5 PLP 0.0000000001893 0.77993 44.9631
91 1XI9 PLP 0.00000005581 0.67258 46.798
92 1GDE GLU PLP 0.00000006479 0.62443 48.5861
Pocket No.: 2; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2zc0.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2zc0.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2zc0.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 2zc0.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WXG 2BO 0.001706 0.40114 1.7199
2 1B8O IMH 0.01288 0.40162 3.16901
3 3QF7 ANP 0.01532 0.40345 16
Pocket No.: 6; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2zc0.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2zc0.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2ZC0; Ligand: PMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2zc0.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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