Receptor
PDB id Resolution Class Description Source Keywords
1M32 2.2 Å EC: 2.6.1.37 CRYSTAL STRUCTURE OF 2-AMINOETHYLPHOSPHONATE TRANSAMINASE SALMONELLA TYPHIMURIUM PLP-DEPENDENT AMINOTRANSFERASE FOLD TRANSFERASE
Ref.: DEGRADATION PATHWAY OF THE PHOSPHONATE CILIATINE: C STRUCTURE OF 2-AMINOETHYLPHOSPHONATE TRANSAMINASE BIOCHEMISTRY V. 41 13162 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP A:4401;
B:4402;
C:4403;
D:4404;
E:4405;
F:4406;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
PO4 B:4602;
C:4604;
E:4605;
F:4606;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
POA A:4601;
C:4603;
Valid;
Valid;
none;
none;
submit data
124.032 C2 H5 O4 P C(C=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M32 2.2 Å EC: 2.6.1.37 CRYSTAL STRUCTURE OF 2-AMINOETHYLPHOSPHONATE TRANSAMINASE SALMONELLA TYPHIMURIUM PLP-DEPENDENT AMINOTRANSFERASE FOLD TRANSFERASE
Ref.: DEGRADATION PATHWAY OF THE PHOSPHONATE CILIATINE: C STRUCTURE OF 2-AMINOETHYLPHOSPHONATE TRANSAMINASE BIOCHEMISTRY V. 41 13162 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M32 - POA C2 H5 O4 P C(C=O)P(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M32 - POA C2 H5 O4 P C(C=O)P(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M32 - POA C2 H5 O4 P C(C=O)P(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 MPM 0.564516 0.814815
12 KOU 0.555556 0.836364
13 HCP 0.546875 0.77193
14 6DF 0.545455 0.811321
15 PXL 0.541667 0.659574
16 Z98 0.537313 0.75
17 PXP 0.537037 0.862745
18 PMP 0.527273 0.767857
19 P0P 0.527273 0.916667
20 PL6 0.522388 0.818182
21 GT1 0.517857 0.830189
22 PFM 0.514706 0.803571
23 LLP 0.5 0.737705
24 PL5 0.479452 0.775862
25 PUS 0.479452 0.707692
26 MPL 0.473684 0.836364
27 PLG 0.46875 0.75
28 IN5 0.46875 0.758621
29 P89 0.466667 0.714286
30 PLP PUT 0.463768 0.684211
31 5DK 0.460526 0.725806
32 O1G 0.454545 0.75
33 PLP ABU 0.450704 0.706897
34 PLT 0.439024 0.762712
35 X04 0.431034 0.851852
36 PP3 0.426471 0.762712
37 P1T 0.426471 0.714286
38 PDD 0.426471 0.762712
39 PDA 0.426471 0.762712
40 IK2 0.42029 0.714286
41 33P 0.42029 0.745763
42 2BO 0.414286 0.793103
43 PLS 0.414286 0.779661
44 PMH 0.414286 0.619718
45 5PA 0.414286 0.714286
46 TLP 0.414286 0.793103
47 2BK 0.414286 0.793103
48 C6P 0.408451 0.75
49 PPD 0.408451 0.75
50 QLP 0.405405 0.681818
51 MP5 0.403509 0.666667
52 PY5 0.402778 0.703125
53 PLA 0.402778 0.703125
54 HEY 0.4 0.703125
55 PLP PHE 0.4 0.732143
Ligand no: 2; Ligand: POA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 POA 1 1
2 MDN 0.411765 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M32; Ligand: PLP; Similar sites found: 79
This union binding pocket(no: 1) in the query (biounit: 1m32.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZSY RW2 0.008054 0.42877 1.63934
2 5U23 TQP 0.02793 0.41305 1.63934
3 3WGC PLG 0.006481 0.42775 1.75953
4 2QRY TPS 0.0201 0.40664 1.81818
5 4E1O PLP PVH 0.0003431 0.50399 1.91257
6 4ZAH T5K 0.01483 0.42586 1.91257
7 5FUE UV4 0.01563 0.40602 1.91257
8 4AOA IK2 0.001429 0.46108 2.18579
9 5KGS 6SR 0.01154 0.44668 2.18579
10 3B8X G4M 0.01102 0.44086 2.18579
11 5DDW 5B6 0.005329 0.43883 2.18579
12 4UHO PLP 0.002736 0.43447 2.18579
13 1CL2 PPG 0.009926 0.42447 2.18579
14 4ADC PLP 0.01419 0.41963 2.18579
15 4UCI SAM 0.02226 0.4068 2.18579
16 2H1H AFH 0.02828 0.40429 2.39521
17 1ZC9 PMP 0.009788 0.42192 2.45902
18 2CJH AKG 0.01122 0.41545 2.45902
19 5W70 9YM 0.00264 0.45319 2.73224
20 3BS8 PMP 0.006721 0.42218 2.73224
21 5X30 7XF 0.02181 0.4049 2.73224
22 4GOX A3P 0.03247 0.40054 2.8754
23 5GVL PLG 0.005559 0.46012 3.00546
24 5GVL GI8 0.005559 0.46012 3.00546
25 4E3Q PMP 0.001524 0.451 3.00546
26 1B9I PXG 0.01809 0.41585 3.00546
27 4WXG 2BO 0.0005262 0.4959 3.27869
28 4N49 SAM 0.0249 0.40594 3.27869
29 4LNL PLG 0.009537 0.41642 3.3033
30 4LNL 2BO 0.01207 0.41324 3.3033
31 4AZJ SEP PLP 0.0000009676 0.63591 3.33333
32 1LW4 PLP 0.002411 0.44971 3.45821
33 1LW4 TLP 0.002887 0.44964 3.45821
34 3A8U PLP 0.003025 0.42974 3.55191
35 2OGA PGU 0.01103 0.42226 3.55191
36 1E5F PLP 0.01222 0.41286 3.55191
37 3S1S SAH 0.03309 0.40212 3.55191
38 5G09 6DF 0.004731 0.43969 3.82514
39 4ZM4 PLP 0.001638 0.45493 4.09836
40 4ZM4 P3B 0.002998 0.44984 4.09836
41 5THY SAH 0.01889 0.41071 4.09836
42 3AFN NAP 0.04407 0.40681 4.26357
43 1FC4 AKB PLP 0.00005185 0.54074 4.37158
44 3VP6 HLD 0.0001509 0.52611 4.64481
45 1DFO PLG 0.0008179 0.48022 4.64481
46 5G4J EXT 0.01871 0.40811 4.64481
47 4K2M O1G 0.003007 0.45512 4.91803
48 5WYF ILP 0.002415 0.45506 4.91803
49 1WYV PLP AOA 0.005153 0.434 5.19126
50 1GSA ADP 0.02633 0.4048 5.37975
51 2FNU PMP UD1 0.01355 0.43794 5.46448
52 5W71 PLP 0.005111 0.43418 5.46448
53 4UOX PLP 0.0006666 0.42986 5.46448
54 5W71 9YM 0.02022 0.42934 5.46448
55 4UOX PUT 0.0008374 0.41255 5.46448
56 4B98 PXG 0.0008158 0.47469 5.7377
57 1MLY ACZ PLP 0.006532 0.43114 5.7377
58 2OAT PFM 0.006804 0.42782 5.7377
59 1SFF IK2 0.003334 0.44753 6.28415
60 3FQ8 PMP 0.01632 0.41615 6.28415
61 1LC8 33P 0.03389 0.40482 6.31868
62 5KVA SAM 0.00999 0.42637 6.47482
63 1MDZ DCS 0.01814 0.42803 6.55738
64 1MDZ PLP 0.01731 0.42803 6.55738
65 1JS3 PLP 142 0.004211 0.44032 7.10383
66 4R5Z PMP 0.01649 0.41592 8.19672
67 4R5Z SIN 0.02381 0.41451 8.19672
68 1PMO PLR 0.0004076 0.48319 9.01639
69 1ELU PDA 0.001432 0.46594 9.01639
70 1ELU CSS 0.0198 0.41005 9.01639
71 3FRK TQP 0.01194 0.43414 13.388
72 5K8B PDG 0.002318 0.46011 14.2077
73 2XBN PMP 0.01709 0.41899 17.2131
74 2FYF PLP 0.000002459 0.58971 17.7596
75 2WK9 PLP 0.0004591 0.50841 18.8525
76 2WK9 PLG 0.0005803 0.50597 18.8525
77 2Z9V PXM 0.000002499 0.58582 37.1585
78 1VJO PLP 0.00000003092 0.70155 39.8907
79 3ZRR PXG 0.00000002576 0.71511 42.3497
Pocket No.: 2; Query (leader) PDB : 1M32; Ligand: POA; 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: 1m32.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M32; Ligand: PLP; 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: 1m32.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1M32; Ligand: PLP; Similar sites found: 10
This union binding pocket(no: 4) in the query (biounit: 1m32.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IYO 0JO 0.02706 0.40122 1.63934
2 5X2Z 3LM 0.03752 0.40028 2.73224
3 2ZAT NAP 0.02477 0.41671 3.46154
4 3S5Y DGJ 0.01196 0.41053 4.37158
5 4UOX PLP PUT 0.001281 0.40043 5.46448
6 2QZZ NAP 0.04378 0.41016 8.49057
7 2QZZ EMF 0.04544 0.41016 8.49057
8 5ECP MET 0.04314 0.41341 10.3139
9 5ECP JAA 0.04314 0.41341 10.3139
10 5MZY 8EZ 0.03967 0.40227 10.4839
Pocket No.: 5; Query (leader) PDB : 1M32; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1m32.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1M32; Ligand: POA; Similar sites found: 2
This union binding pocket(no: 6) in the query (biounit: 1m32.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QZZ NAP 0.02629 0.40173 8.49057
2 2QZZ EMF 0.02715 0.40173 8.49057
Pocket No.: 7; Query (leader) PDB : 1M32; Ligand: PLP; Similar sites found: 1
This union binding pocket(no: 7) in the query (biounit: 1m32.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q7B NAP 0.04538 0.40228 3.68852
Pocket No.: 8; Query (leader) PDB : 1M32; Ligand: PLP; 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: 1m32.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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