Receptor
PDB id Resolution Class Description Source Keywords
3E2Y 2.26 Å EC: 2.6.1.7 CRYSTAL STRUCTURE OF MOUSE KYNURENINE AMINOTRANSFERASE III I WITH GLUTAMINE MUS MUSCULUS ALPHA BETA PROTEIN PLP DEPENDENT PROTEIN AMINOTRANSFERASEPYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL PROPERTIES OF MOUSE KYNU AMINOTRANSFERASE III. MOL.CELL.BIOL. V. 29 784 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:458;
A:459;
B:458;
B:459;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PMP A:457;
B:456;
Valid;
Valid;
none;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E2Y 2.26 Å EC: 2.6.1.7 CRYSTAL STRUCTURE OF MOUSE KYNURENINE AMINOTRANSFERASE III I WITH GLUTAMINE MUS MUSCULUS ALPHA BETA PROTEIN PLP DEPENDENT PROTEIN AMINOTRANSFERASEPYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL PROPERTIES OF MOUSE KYNU AMINOTRANSFERASE III. MOL.CELL.BIOL. V. 29 784 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E2Y - 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 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YIY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2R5E - QLP C13 H20 N3 O8 P Cc1c(c(c(c....
3 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 3FVU - IAC C10 H9 N O2 c1ccc2c(c1....
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 : 3E2Y; Ligand: PMP; Similar sites found: 87
This union binding pocket(no: 1) in the query (biounit: 3e2y.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FC4 AKB PLP 0.00004528 0.4669 1.24688
2 2WK9 PLP 0.00004502 0.40142 1.79949
3 2HOX P1T 0.000000002591 0.62904 1.95122
4 4ZSY RW2 0.001442 0.40106 1.95122
5 2Z9V PXM 0.0004446 0.4797 2.04082
6 1DJ9 KAM 0.00007443 0.4783 2.08333
7 5IWQ PLP 0.00001061 0.53577 2.19512
8 1ELU PDA 0.002094 0.43976 2.30769
9 1DFO PLG 0.000988 0.4572 2.68293
10 1JS3 PLP 142 0.001047 0.41481 2.92683
11 4UHO PLP 0.009591 0.41352 3.17073
12 4UOX PLP 0.006431 0.4083 3.17073
13 2FYF PLP 0.0001725 0.49305 3.26633
14 5W70 9YM 0.0001979 0.49022 3.41463
15 1AJS PLA 0.00000003612 0.54231 3.65854
16 5KGS 6SR 0.01796 0.42364 3.65854
17 1F6D UDP 0.01187 0.40007 3.7234
18 4E1O PLP PVH 0.006083 0.42336 4.14634
19 4BA5 PXG 0.002825 0.41152 4.14634
20 4RKC PMP 0.00000004748 0.64732 4.27136
21 4ZM4 PLP 0.0009898 0.43878 4.39024
22 1TOI HCI 0.002572 0.48029 4.54545
23 1PMO PLR 0.001007 0.44523 4.63415
24 2XBN PMP 0.0005677 0.47808 5.12195
25 3PD6 PMP 0.0000001281 0.63342 5.23691
26 3PDB PMP 0.0000001604 0.61911 5.23691
27 3PD6 KYN 0.01863 0.40044 5.23691
28 5ITZ GDP 0.01261 0.40974 5.51181
29 5ITZ GTP 0.01759 0.40703 5.51181
30 4AZJ SEP PLP 0.0001347 0.43239 6.38889
31 5EYP GDP 0.02309 0.40252 6.50888
32 1CL2 PPG 0.0007448 0.41769 6.58228
33 4E3Q PMP 0.0004239 0.46814 6.58537
34 3WGC PLG 0.001274 0.42665 7.33138
35 4LNL PLG 0.001026 0.43705 9.00901
36 4LNL 2BO 0.001307 0.42553 9.00901
37 2X5F PLP 0.00000003692 0.6588 9.5122
38 5GVL PLG 0.00587 0.44481 10.2439
39 5GVL GI8 0.00587 0.44481 10.2439
40 3FQ8 PMP 0.01127 0.41209 10.2439
41 5K8B PDG 0.000331 0.48381 10.4878
42 5W71 9YM 0.0008181 0.48938 10.7317
43 5W71 PLP 0.0002567 0.48027 10.7317
44 5WYF ILP 0.01367 0.40313 10.9756
45 4JE5 PMP 0.000001401 0.58464 11.2195
46 4JE5 PLP 0.000001488 0.58342 11.2195
47 4K2M O1G 0.0003912 0.41644 11.2195
48 2OGA PGU 0.0006837 0.4668 11.7794
49 1LW4 PLP 0.0006603 0.45873 11.8156
50 1LW4 TLP 0.0008904 0.45723 11.8156
51 4HVK PMP 0.0001535 0.46827 12.3037
52 5X2Z 3LM 0.0000257 0.54321 12.8141
53 5X30 7XF 0.00001065 0.49484 12.8141
54 5X30 4LM 0.00009521 0.46551 12.8141
55 4IY7 KOU 0.0004289 0.42913 12.8463
56 4IY7 0JO 0.0004699 0.42741 12.8463
57 4IYO 0JO 0.0004886 0.4268 12.8463
58 1MDZ PLP 0.001182 0.47159 13.9949
59 1MDZ DCS 0.001257 0.47159 13.9949
60 1E5F PLP 0.00001194 0.51297 14.3564
61 5DJ3 5DK 0.00005194 0.51525 14.6277
62 1WYV PLP AOA 0.0007043 0.42869 16.8776
63 5U23 TQP 0.001044 0.47288 17.2775
64 1VJO PLP 0.003216 0.4101 17.3171
65 3CQ5 PMP 0.00000008435 0.66409 17.8862
66 3BWN PMP 0.000000008096 0.67849 17.9028
67 3BWN PMP PHE 0.0000007306 0.51477 17.9028
68 4M2K PLP 0.0000003278 0.62423 18.4729
69 3ZRR PXG 0.00002313 0.47146 19.7917
70 1C7O PPG 0.00001092 0.47989 20.802
71 1LC8 33P 0.00000002965 0.51296 22.5275
72 3EI9 PL6 0.00000001231 0.55066 23.6585
73 1GEX PLP HSA 0.000000001875 0.55134 23.8764
74 2R2N PMP 0.0000001001 0.6285 24.1463
75 2R2N KYN 0.000001028 0.4444 24.1463
76 1UU1 PMP HSA 0.0000001077 0.54484 24.1791
77 4FL0 PLP 0.00000006772 0.63626 25.3659
78 3B1E P1T 0.000002466 0.55118 25.7653
79 4R5Z PMP 0.00000000782 0.57031 26.9755
80 4R5Z SIN 0.0000001169 0.48572 26.9755
81 2ZYJ PGU 0.0000002908 0.48442 27.4559
82 2ZC0 PMP 0.000000001153 0.65992 28.9926
83 1M7Y PPG 0.0000002925 0.45967 30.9756
84 1XI9 PLP 0.0000001317 0.64332 35.468
85 2X5D PLP 0.0000004881 0.54697 40.9756
86 1GCK ASP PLP 0.000000004285 0.60354 43.8961
87 1GDE GLU PLP 0.000000002149 0.62696 46.7866
Pocket No.: 2; Query (leader) PDB : 3E2Y; 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: 3e2y.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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