Receptor
PDB id Resolution Class Description Source Keywords
3CBF 1.67 Å EC: 2.6.1.39 CRYSTAL STRUCTURE OF LYSN, ALPHA-AMINOADIPATE AMINOTRANSFERASE, FROM THERMUS THERMOPHILUS HB27 THERMUS THERMOPHILUS ALPHA-AMINOADIPATE AMINOTRANSFERASE THERMUS THERMOPHILUS SUBSTRATE SPECIFITY
Ref.: MECHANISM FOR MULTIPLE-SUBSTRATES RECOGNITION OF ALPHA-AMINOADIPATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS PROTEINS 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N5F A:500;
B:501;
Valid;
Valid;
none;
none;
submit data
392.298 C14 H21 N2 O9 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZYJ 1.67 Å EC: 2.6.1.39 CRYSTAL STRUCTURE OF LYSN, ALPHA-AMINOADIPATE AMINOTRANSFERA (COMPLEXED WITH N-(5'-PHOSPHOPYRIDOXYL)-L-GLUTAMATE), FROM T HERMOPHILUS HB27 THERMUS THERMOPHILUS ALPHA-AMINOADIPATE AMINOTRANSFERASE THERMUS THERMOPHILUS AMINOTRANSFERASE TRANSFERASE
Ref.: DUAL ROLES OF A CONSERVED PAIR, ARG23 AND SER20, IN RECOGNITION OF MULTIPLE SUBSTRATES IN ALPHA-AMINOAD AMINOTRANSFERASE FROM THERMUS THERMOPHILUS. BIOCHEM.BIOPHYS.RES.COMMUN. V. 388 21 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CBF - N5F C14 H21 N2 O9 P Cc1c(c(c(c....
2 2ZP7 - LEU C6 H13 N O2 CC(C)C[C@@....
3 2ZYJ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
4 2Z1Y - LEU PLP n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CBF - N5F C14 H21 N2 O9 P Cc1c(c(c(c....
2 2ZP7 - LEU C6 H13 N O2 CC(C)C[C@@....
3 2ZYJ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
4 2Z1Y - LEU PLP 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 3CBF - N5F C14 H21 N2 O9 P Cc1c(c(c(c....
2 2ZYJ - PGU C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: N5F; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 N5F 1 1
2 PGU 0.84058 0.983871
3 PDG 0.84058 0.983871
4 PY6 0.816901 0.924242
5 ORX 0.805556 0.968254
6 PE1 0.794521 0.968254
7 PY5 0.785714 0.923077
8 QLP 0.777778 0.924242
9 PL4 0.773333 0.968254
10 7XF 0.763889 0.952381
11 PPD 0.746479 0.951613
12 PLS 0.732394 0.920635
13 C6P 0.722222 0.920635
14 TLP 0.662162 0.875
15 2BO 0.662162 0.875
16 2BK 0.662162 0.875
17 PDD 0.657534 0.875
18 PP3 0.657534 0.875
19 PDA 0.657534 0.875
20 76U 0.653846 0.9375
21 AQ3 0.635294 0.865672
22 ILP 0.628205 0.876923
23 KAM 0.626506 0.9375
24 EA5 0.604938 0.938462
25 IN5 0.594595 0.84375
26 PLG 0.594595 0.920635
27 IK2 0.564103 0.878788
28 PLA 0.5625 0.893939
29 PMG 0.560976 0.924242
30 P1T 0.551282 0.878788
31 CBA 0.548781 0.835821
32 5PA 0.5375 0.907692
33 33P 0.525 0.830769
34 PPE 0.511905 0.968254
35 PSZ 0.511628 0.774648
36 PXP 0.507042 0.761905
37 HEY 0.5 0.923077
38 3LM 0.494253 0.814286
39 PL2 0.488372 0.838235
40 DCS 0.488372 0.74026
41 PMH 0.481928 0.679487
42 PLP ALO 0.481928 0.830769
43 PMP 0.479452 0.825397
44 RW2 0.477778 0.852941
45 PXG 0.477778 0.833333
46 GT1 0.472973 0.686567
47 7TS 0.45977 0.6875
48 PL6 0.448276 0.8125
49 PL8 0.44086 0.833333
50 9YM 0.43956 0.808824
51 7B9 0.431579 0.869565
52 1D0 0.418367 0.826087
53 Z98 0.411111 0.833333
54 PLR 0.410959 0.671875
55 PLP 2KZ 0.409091 0.80303
56 CAN PLP 0.408602 0.893939
57 LLP 0.404255 0.876923
58 P0P 0.402597 0.714286
59 KOU 0.402299 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZYJ; Ligand: PGU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2zyj.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZYJ; Ligand: PGU; Similar sites found: 88
This union binding pocket(no: 2) in the query (biounit: 2zyj.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CL2 PPG 0.007558 0.40694 1.77215
2 1JS3 PLP 142 0.00427 0.42128 2.01511
3 4E3Q PMP 0.007888 0.42831 2.267
4 4ZAH T5K 0.002785 0.40293 2.267
5 2Z9V PXM 0.004886 0.44854 2.29592
6 2B1Q TRE 0.0187 0.41783 2.45902
7 1FC4 AKB PLP 0.002056 0.43545 2.51889
8 2CUN 3PG 0.0376 0.40982 2.51889
9 4IY7 KOU 0.001527 0.43733 2.77078
10 4IY7 0JO 0.001849 0.4337 2.77078
11 4IYO 0JO 0.001882 0.43336 2.77078
12 2WDA L42 0.04535 0.40082 2.77078
13 2GMM MAN MAN 0.01744 0.42242 2.77778
14 1Q8Q MAN MMA 0.02869 0.4094 2.77778
15 1Q8S MAN MMA 0.0294 0.40892 2.77778
16 1DJ9 KAM 0.0002816 0.48373 3.125
17 1F6D UDP 0.01594 0.41299 3.7234
18 3LGS ADE 0.02689 0.41125 3.74532
19 4TO8 FLC 0.02803 0.40468 4.10959
20 1E5F PLP 0.001458 0.4505 4.28212
21 3QRC SCR 0.005252 0.41803 4.4586
22 4K2M O1G 0.006236 0.40437 4.53401
23 5CDH TLA 0.02605 0.40259 4.7619
24 1Q8A HCS 0.02104 0.41493 5.28967
25 4ZM4 PLP 0.01389 0.40836 5.28967
26 3ZRR PXG 0.002137 0.43095 5.72917
27 2TPL HPP 0.001637 0.41904 5.79345
28 3SLS 77D 0.007284 0.42175 5.92105
29 2JKY 5GP 0.01168 0.41196 6.10329
30 5X30 7XF 0.0006535 0.45765 6.29723
31 5X30 4LM 0.002266 0.43748 6.29723
32 5X2Z 3LM 0.002765 0.40465 6.29723
33 3BF1 PAU 0.02162 0.40263 6.82731
34 3BWN PMP 0.000000008386 0.71482 7.41688
35 3BWN PMP PHE 0.000000005192 0.66774 7.41688
36 4IAW LIZ 0.01188 0.41939 7.44681
37 2FYF PLP 0.0009975 0.47875 7.55667
38 3WGC PLG 0.001615 0.44843 7.91789
39 1ELU CSS 0.002278 0.42617 8.46154
40 1OXO IK2 0.000006563 0.42715 8.81612
41 3NOJ PYR 0.03166 0.41505 8.82353
42 1TOI HCI 0.00003905 0.51977 8.83838
43 4AZJ SEP PLP 0.002821 0.4222 8.88889
44 1WYV PLP AOA 0.009522 0.40903 9.06801
45 2HOX P1T 0.0000000005274 0.72923 9.36768
46 4XDY HIO 0.02267 0.4093 9.76331
47 1N5S ADL 0.01125 0.40913 9.82143
48 1AJS PLA 0.000000004096 0.61368 10.3275
49 5W70 9YM 0.0007832 0.40549 10.5793
50 2CST MAE 0.00001307 0.58343 10.8312
51 2AY3 MPP 0.00000415 0.5761 10.8312
52 3PDB PMP 0.00000007419 0.66875 11.0831
53 3PD6 PMP 0.0000002905 0.64933 11.0831
54 3PD6 KYN 0.00005874 0.55309 11.0831
55 3PDB OAA 0.01639 0.41013 11.0831
56 1YAA MAE 0.0000002743 0.67883 11.5869
57 5EW0 3C7 0.0113 0.42938 13.6752
58 2GKL PD2 0.003281 0.44267 14.5374
59 1LC8 33P 0.0000008212 0.54474 14.8352
60 5DJ3 5DK 0.000008814 0.46744 15.4255
61 4RKC PMP 0.0000001112 0.50935 16.3728
62 1C7O PPG 0.0000001302 0.61505 16.6247
63 4RL0 3S0 0.02141 0.40284 16.9421
64 3CQ5 PMP 0.0000000003723 0.82167 18.6398
65 1UU1 PMP HSA 0.000000003037 0.67771 22.6866
66 2R5C C6P 0.000000006893 0.67078 23.1738
67 2R5E QLP 0.000000007038 0.67038 23.1738
68 4M2K PLP 0.00000003693 0.70511 25.1889
69 2X5F PLP 0.000000005584 0.73485 25.6927
70 1M7Y PPG 0.0000004327 0.53056 26.7003
71 4EXO PYR 0.03507 0.40268 27.3973
72 3E2Y PMP 0.0000002908 0.48442 27.4559
73 1M2Z BOG 0.04163 0.41009 28.5714
74 3B1E P1T 0.0000003594 0.62662 28.8265
75 4R5Z PMP 0.000000009739 0.64822 31.0627
76 4R5Z SIN 0.0004334 0.4801 31.0627
77 3EI9 PL6 0.00000000137 0.67581 31.4815
78 5IWQ PLP 0.0000006703 0.62224 31.738
79 1GEX PLP HSA 0.0000006803 0.55332 32.8652
80 1XI9 PLP 0.00000001486 0.72531 35.0126
81 4FL0 PLP 0.00000001242 0.70652 35.5164
82 1U08 PLP 0.0000006211 0.63288 35.7513
83 2X5D PLP 0.00000000009997 0.51802 37.7834
84 1GCK ASP PLP 0.000000006815 0.671 38.0353
85 1V2F HCI 0.00003469 0.55326 41.5617
86 1GDE GLU PLP 0.000000000134 0.75575 45.5919
87 4JE5 PMP 0.0000000006057 0.78292 47.8589
88 4JE5 PLP 0.0000000007275 0.77895 47.8589
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