Receptor
PDB id Resolution Class Description Source Keywords
2X5F 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS SAR2028, AN A SPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5'-PHOSPHATE DE PENDENT AMINOTRANSFERASE STAPHYLOCOCCUS AUREUS TRANSFERASE
Ref.: THE SCOTTISH STRUCTURAL PROTEOMICS FACILITY: TARGET METHODS AND OUTPUTS. J.STRUCT.FUNCT.GENOM. V. 11 167 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:1430;
B:1428;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
MG B:1429;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PLP A:1429;
B:1430;
Valid;
Valid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
PO4 A:1431;
B:1431;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X5F 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS SAR2028, AN A SPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5'-PHOSPHATE DE PENDENT AMINOTRANSFERASE STAPHYLOCOCCUS AUREUS TRANSFERASE
Ref.: THE SCOTTISH STRUCTURAL PROTEOMICS FACILITY: TARGET METHODS AND OUTPUTS. J.STRUCT.FUNCT.GENOM. V. 11 167 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2X5F - 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 211 families.
1 2X5F - 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 166 families.
1 2X5F - 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 : 2X5F; Ligand: PLP; Similar sites found: 86
This union binding pocket(no: 1) in the query (biounit: 2x5f.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1E5F PLP 0.00006567 0.51194 1.23762
2 3B8X G4M 0.01082 0.43014 1.28205
3 1FC4 AKB PLP 0.001642 0.40408 1.49626
4 5K8B PDG 0.001748 0.45426 1.98511
5 2FYF PLP 0.0005438 0.46619 2.01005
6 1CL2 PPG 0.01354 0.40729 2.02532
7 3VC3 C6P 0.01438 0.41385 2.03488
8 3FQ8 PMP 0.01579 0.40889 2.10773
9 1DJ9 KAM 0.000548 0.43498 2.60417
10 1DFO PLG 0.003886 0.43364 2.63789
11 5CQG 55C 0.008 0.41335 2.7907
12 4C3Y FAD 0.03221 0.41228 2.7907
13 4C3Y ANB 0.04622 0.40791 2.7907
14 4G9E C4L 0.01106 0.40585 2.86738
15 3FRK TQP 0.006476 0.43797 2.94906
16 2V2V V12 0.03871 0.40719 2.95203
17 3F3E LEU 0.0451 0.40097 3.46821
18 5X2Z 3LM 0.0006345 0.48125 3.51759
19 5X30 7XF 0.0003032 0.43243 3.51759
20 5X30 4LM 0.002145 0.40955 3.51759
21 3ZRR PXG 0.000633 0.47185 3.64583
22 5W71 9YM 0.0007579 0.49649 3.95349
23 5W71 PLP 0.0005125 0.47185 3.95349
24 3KP6 SAL 0.02118 0.40029 3.97351
25 3WGC PLG 0.001008 0.45548 4.10557
26 4AZJ SEP PLP 0.0008494 0.40467 4.16667
27 1WYV PLP AOA 0.003825 0.43001 4.18605
28 2HOX P1T 0.000000001863 0.73617 4.21546
29 4B98 PXG 0.01136 0.40729 4.4186
30 1PMO PLR 0.002482 0.43209 4.65116
31 1JS3 PLP 142 0.0004308 0.42353 4.65116
32 2XBN PMP 0.003352 0.44535 4.68384
33 4HVK PMP 0.002354 0.42465 4.71204
34 4UHO PLP 0.00724 0.41717 4.88372
35 4LNL PLG 0.000898 0.45542 5.1051
36 4LNL 2BO 0.001091 0.45383 5.1051
37 2X05 X05 0.01308 0.40028 5.11628
38 4BH1 SIA GAL NAG 0.01033 0.40516 5.42169
39 1YOK P6L 0.02386 0.41348 5.46875
40 4IYO 0JO 0.0005555 0.4746 6.04534
41 4IY7 KOU 0.0005066 0.41376 6.04534
42 4IY7 0JO 0.0005786 0.41191 6.04534
43 5IWQ PLP 0.0000004933 0.5875 6.04651
44 1ELU PDA 0.000261 0.48825 6.15385
45 1ELU CSS 0.000735 0.47074 6.15385
46 4FL0 PLP 0.00000006579 0.62579 6.97674
47 1UU1 PMP HSA 0.0000001596 0.53357 7.16418
48 2WK9 PLP 0.001042 0.47675 7.19794
49 2WK9 PLG 0.001204 0.47637 7.19794
50 3EI9 PL6 0.00000004503 0.53348 7.2093
51 1B9I PXG 0.005941 0.42987 7.2165
52 2Z9V PXM 0.003865 0.43062 7.39796
53 3CQ5 PMP 0.0000004949 0.58225 7.58808
54 1ZC9 PMP 0.01415 0.40457 7.67442
55 1LW4 TLP 0.0002202 0.4918 8.35735
56 1LW4 PLP 0.0001756 0.4916 8.35735
57 5DJ3 5DK 0.00006662 0.51682 8.7766
58 1LC8 33P 0.000001545 0.46045 9.34066
59 3E2Y PMP 0.00000003692 0.6588 9.5122
60 3B1E P1T 0.000001234 0.59076 9.94898
61 5W70 9YM 0.0002794 0.48907 10.7865
62 4R5Z PMP 0.0000004482 0.51213 11.9891
63 4R5Z SIN 0.000003856 0.44611 11.9891
64 4JH6 FCN 0.009665 0.40629 13.7681
65 1U08 PLP 0.0000001075 0.63288 15.0259
66 4JE5 PMP 0.00000001622 0.67117 16.9767
67 4JE5 PLP 0.00000001696 0.67027 16.9767
68 1GEX PLP HSA 0.000001618 0.46359 18.2584
69 2R5C C6P 0.0000001339 0.64986 20.7459
70 2R5E QLP 0.0000001558 0.64668 20.7459
71 2AY3 MPP 0.00009578 0.50139 21.8274
72 2R2N PMP 0.000000007593 0.66669 22.3529
73 2R2N KYN 0.00000008833 0.46475 22.3529
74 1M7Y PPG 0.0000003945 0.64928 22.5581
75 1GDE GLU PLP 0.000000006855 0.70892 22.6221
76 2CST MAE 0.01004 0.41017 22.6277
77 3PDB PMP 0.00000000009897 0.77956 22.6933
78 3PD6 PMP 0.0000000007167 0.73431 22.6933
79 1OXO IK2 0.0000000053 0.42324 23.4414
80 2ZC0 PMP 0.0000000008324 0.64827 24.0786
81 1AJS PLA 0.0000000002803 0.79022 25.2427
82 2ZYJ PGU 0.000000005584 0.73485 25.6927
83 1YAA MAE 0.002438 0.41576 26.699
84 1TOI HCI 0.001146 0.50414 27.5253
85 4RKC PMP 0.0000000002946 0.70702 29.397
86 1GCK ASP PLP 0.0000000006337 0.62212 38.4416
Pocket No.: 2; Query (leader) PDB : 2X5F; 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: 2x5f.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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