Receptor
PDB id Resolution Class Description Source Keywords
2FYF 1.5 Å EC: 2.6.1.52 STRUCTURE OF A PUTATIVE PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PLP-DEPENDENT ENZYME DIMER STRUCTURAL GENOMICS MYCOBACTERTUBERCULOSIS STRUCTURAL PROTEOMICS PROJECT XMTB TRANSFERA
Ref.: STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS. ACTA CRYSTALLOGR.,SECT.D V. 68 553 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1388;
A:1389;
A:1390;
B:2393;
B:2394;
B:2395;
B:2396;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PC4 A:1378;
A:1382;
B:2378;
B:2383;
B:2386;
B:2391;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
336.89 Cl4 Pt Cl[Pt...
PLP A:1377;
B:2377;
Valid;
Valid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
SO4 A:2392;
B:1387;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FYF 1.5 Å EC: 2.6.1.52 STRUCTURE OF A PUTATIVE PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PLP-DEPENDENT ENZYME DIMER STRUCTURAL GENOMICS MYCOBACTERTUBERCULOSIS STRUCTURAL PROTEOMICS PROJECT XMTB TRANSFERA
Ref.: STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM MYCOBACTERIUM TUBERCULOSIS. ACTA CRYSTALLOGR.,SECT.D V. 68 553 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FYF - PLP C8 H10 N O6 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 2 families.
1 2FYF - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2FYF - PLP C8 H10 N O6 P Cc1c(c(c(c....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FYF; Ligand: PLP; Similar sites found: 117
This union binding pocket(no: 1) in the query (biounit: 2fyf.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5V2J UDP 0.01134 0.42991 1.25628
2 5V2J 7WV 0.01134 0.42991 1.25628
3 3BS8 PMP 0.005722 0.41969 1.25628
4 1QZR ANP 0.02041 0.41021 1.25628
5 5G4J EXT 0.001241 0.4021 1.25628
6 1GTE FMN 0.01125 0.43357 1.50754
7 3B8X G4M 0.01089 0.43432 1.53846
8 1LC8 33P 0.001667 0.46734 1.64835
9 4B98 PXG 0.00007743 0.51817 1.75879
10 5W71 PLP 0.002166 0.44705 1.75879
11 5W71 9YM 0.008481 0.44629 1.75879
12 1ZC9 PMP 0.004953 0.43137 1.75879
13 2R2N PMP 0.00419 0.41135 1.75879
14 4KQI RBZ 0.02518 0.41178 1.96629
15 2HOX P1T 0.0006897 0.47373 2.01005
16 2X5F PLP 0.0005438 0.46619 2.01005
17 3FQ8 PMP 0.003411 0.44669 2.01005
18 2TPL HPP 0.005553 0.43913 2.01005
19 2XBN PMP 0.01066 0.42467 2.01005
20 5DJ3 5DK 0.003955 0.43621 2.12766
21 1FC4 AKB PLP 0.00000419 0.58328 2.26131
22 5GVL PLG 0.0009269 0.49648 2.26131
23 5GVL GI8 0.0009269 0.49648 2.26131
24 1AJS PLA 0.001467 0.4652 2.26131
25 4ZM4 PLP 0.0001554 0.45936 2.51256
26 4AOA IK2 0.003305 0.43587 2.51256
27 4E1O PLP PVH 0.0002249 0.41195 2.51256
28 1U08 PLP 0.0005391 0.46637 2.59067
29 1UU1 PMP HSA 0.0002971 0.41208 2.68657
30 1PMO PLR 0.000007422 0.55892 2.76382
31 1JS3 PLP 142 0.0005929 0.47698 2.76382
32 4JE5 PMP 0.001308 0.43668 2.76382
33 4JE5 PLP 0.001361 0.4357 2.76382
34 3BWN PMP 0.004847 0.42317 2.8133
35 3BWN PMP PHE 0.01338 0.41346 2.8133
36 4LNL 2BO 0.004563 0.42901 3.003
37 4LNL PLG 0.00414 0.42884 3.003
38 1M7Y PPG 0.0005546 0.4965 3.01508
39 3PDB PMP 0.001382 0.44948 3.01508
40 3PD6 PMP 0.001468 0.44554 3.01508
41 4UOX PLP 0.0008578 0.4385 3.01508
42 4UOX PUT 0.001384 0.41569 3.01508
43 4UOX PLP PUT 0.001637 0.40609 3.01508
44 3B1E P1T 0.004035 0.42939 3.06122
45 4IMG NGF 0.01385 0.41099 3.07167
46 1GEX PLP HSA 0.0008521 0.48059 3.08989
47 2CI5 HCS 0.001937 0.41119 3.16901
48 2FNU PMP UD1 0.01183 0.43457 3.2
49 3E2Y PMP 0.0001725 0.49305 3.26633
50 1DJ9 KAM 0.0006121 0.42478 3.26633
51 1MDZ PLP 0.008852 0.43672 3.30789
52 1MDZ DCS 0.009323 0.43672 3.30789
53 1MLY ACZ PLP 0.01269 0.4111 3.7296
54 4M2K PLP 0.0002746 0.47728 3.76884
55 5K8B PDG 0.007118 0.42891 3.76884
56 4WXG 2BO 0.00005556 0.42623 3.76884
57 5G09 6DF 0.01799 0.4053 3.76884
58 4WAS NAP 0.02851 0.41425 3.84615
59 2OGA PGU 0.005783 0.43173 4.0201
60 4BA5 PXG 0.0007431 0.42403 4.0201
61 2IHU TP9 0.04696 0.40165 4.0201
62 1LW4 PLP 0.001459 0.45323 4.03458
63 1LW4 TLP 0.001914 0.45181 4.03458
64 1J49 NAD 0.03283 0.40339 4.2042
65 2IVN ANP 0.02277 0.40777 4.24242
66 2ZC0 PMP 0.00009946 0.51283 4.27136
67 4FL0 PLP 0.002727 0.43523 4.27136
68 1H70 CIR 0.009261 0.40464 4.31373
69 1GCK ASP PLP 0.001013 0.41105 4.41558
70 4E3Q PMP 0.00004113 0.51986 4.52261
71 5KGS 6SR 0.01281 0.43943 4.59519
72 3CQ5 PMP 0.00248 0.42757 4.60705
73 1GDE GLU PLP 0.01284 0.41084 4.62725
74 4C3Y FAD 0.02561 0.42141 4.77387
75 4C3Y ANB 0.03047 0.42141 4.77387
76 4RKC PMP 0.001099 0.42396 5.02513
77 2IZ1 RES 0.01301 0.41728 5.02513
78 3VP6 HLD 0.0001524 0.51676 5.27638
79 3W8X FAD 0.0454 0.41033 5.27638
80 1XI9 PLP 0.008232 0.40708 5.52764
81 4MAE PQQ 0.002905 0.44482 5.77889
82 1J0D 5PA 0.02441 0.40756 5.8651
83 1SFF IK2 0.01109 0.41582 6.28141
84 5U23 TQP 0.007888 0.43811 6.28272
85 5WYF ILP 0.002642 0.44686 6.53266
86 3FWN ATR 0.03279 0.40899 6.53266
87 3FWN 6PG 0.01519 0.40899 6.53266
88 3CR3 ADP 0.01999 0.40301 6.77083
89 4UHO PLP 0.0006448 0.46593 6.78392
90 2X5D PLP 0.001195 0.43207 6.78392
91 4ZSY RW2 0.0007411 0.40667 6.78392
92 3AY6 NAI 0.04109 0.40669 7.0632
93 1M5B BN1 0.02965 0.45593 7.22433
94 2ZYJ PGU 0.0009975 0.47875 7.55667
95 4NG2 OHN 0.02093 0.40824 7.6087
96 4K2M O1G 0.006375 0.43132 8.12641
97 1VJO PLP 0.000004067 0.57804 8.14249
98 1DFO PLG 0.00006098 0.52822 8.29146
99 2RGH FAD 0.03563 0.41276 8.29146
100 1ELU PDA 0.0001326 0.50913 8.54271
101 1ELU CSS 0.001228 0.46539 8.54271
102 3EI9 PL6 0.000154 0.40512 8.54271
103 3A8U PLP 0.0008385 0.43582 8.79397
104 2D0O ADP 0.01612 0.40006 8.8
105 2WK9 PLG 0.00003679 0.5607 9.2545
106 2WK9 PLP 0.00003444 0.55886 9.2545
107 3IA4 NDP 0.01929 0.41784 9.87654
108 3FRK TQP 0.005969 0.44441 9.91957
109 4HVK PMP 0.000008978 0.54783 9.94764
110 2Z9V PXM 0.00001117 0.53253 11.2245
111 2R5E QLP 0.0003309 0.49172 11.4219
112 2R5C C6P 0.0004235 0.4864 11.4219
113 3WGC PLG 0.004646 0.42863 12.9032
114 5W70 9YM 0.003231 0.44251 14.1573
115 1M32 PLP 0.000002459 0.58971 17.7596
116 1WYV PLP AOA 0.01138 0.41155 21.3568
117 3ZRR PXG 0.000000005518 0.72914 25
Pocket No.: 2; Query (leader) PDB : 2FYF; Ligand: PLP; 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: 2fyf.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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