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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 269 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 237 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 187 families.
1 2X5F - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 62
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 F0G 0.564516 0.865385
12 MPM 0.564516 0.814815
13 FEV 0.555556 0.803571
14 KOU 0.555556 0.836364
15 HCP 0.546875 0.77193
16 EVM 0.546875 0.821429
17 6DF 0.545455 0.811321
18 PXL 0.541667 0.659574
19 Z98 0.537313 0.75
20 PXP 0.537037 0.862745
21 PMP 0.527273 0.767857
22 P0P 0.527273 0.916667
23 PL6 0.522388 0.818182
24 GT1 0.517857 0.830189
25 PFM 0.514706 0.803571
26 FEJ 0.514706 0.851852
27 LLP 0.5 0.737705
28 P70 0.5 0.833333
29 PUS 0.479452 0.707692
30 PL5 0.479452 0.775862
31 MPL 0.473684 0.836364
32 PLG 0.46875 0.75
33 IN5 0.46875 0.758621
34 P89 0.466667 0.714286
35 PLP PUT 0.463768 0.672131
36 EQJ 0.460526 0.725806
37 5DK 0.460526 0.725806
38 O1G 0.454545 0.75
39 PLT 0.439024 0.762712
40 X04 0.431034 0.851852
41 PDD 0.426471 0.762712
42 PP3 0.426471 0.762712
43 PDA 0.426471 0.762712
44 P1T 0.426471 0.714286
45 33P 0.42029 0.745763
46 IK2 0.42029 0.714286
47 TLP 0.414286 0.793103
48 2BK 0.414286 0.793103
49 PLS 0.414286 0.779661
50 2BO 0.414286 0.793103
51 5PA 0.414286 0.714286
52 PMH 0.414286 0.619718
53 9TD 0.413793 0.671642
54 PLP 999 0.410959 0.796296
55 PPD 0.408451 0.75
56 C6P 0.408451 0.75
57 QLP 0.405405 0.681818
58 MP5 0.403509 0.666667
59 PLA 0.402778 0.703125
60 PY5 0.402778 0.703125
61 HEY 0.4 0.703125
62 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 with APoc: 136
This union binding pocket(no: 1) in the query (biounit: 2x5f.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1E5F PLP 1.23762
2 3B8X G4M 1.28205
3 4BA5 PXG 1.39535
4 1FC4 AKB PLP 1.49626
5 5M3Z PLP 1.75879
6 5M3Z PY6 1.75879
7 5M3Z NLE 1.75879
8 6CZY PMP 1.9337
9 5K8B PDG 1.98511
10 2FYF PLP 2.01005
11 1CL2 PPG 2.02532
12 3VC3 C6P 2.03488
13 3ITJ CIT 2.07101
14 1ZPD CIT 2.09302
15 4WXG 2BO 2.1028
16 3FQ8 PMP 2.10773
17 4HNN LYS 2.31214
18 5W19 9TD 2.32558
19 4E1O PLP PVH 2.32558
20 4ZAH T5K 2.52525
21 3C3N FMN 2.5641
22 1DJ9 KAM 2.60417
23 1DFO PLG 2.63789
24 4POW OP1 2.64151
25 5CQG 55C 2.7907
26 4C3Y FAD 2.7907
27 4C3Y ANB 2.7907
28 4G9E C4L 2.86738
29 3FRK TQP 2.94906
30 2V2V V12 2.95203
31 5TXR PLP 3.02326
32 2TPL HPP 3.25581
33 3F3E LEU 3.46821
34 5WYF ILP 3.48837
35 5X2Z 3LM 3.51759
36 5X30 7XF 3.51759
37 5X30 4LM 3.51759
38 3ZRR PXG 3.64583
39 1H74 ILE 3.71622
40 5W71 9YM 3.95349
41 5W71 PLP 3.95349
42 2EAE FUL 3.95349
43 3KP6 SAL 3.97351
44 3WGC PLG 4.10557
45 4AZJ SEP PLP 4.16667
46 6ECG PM9 4.18605
47 5YKT PMP 4.18605
48 1WYV PLP AOA 4.18605
49 3A8U PLP 4.18605
50 2HOX P1T 4.21546
51 6CD1 PLG 4.4186
52 6CD1 PLS 4.4186
53 4B98 PXG 4.4186
54 5IKH 6BW 4.4186
55 1JS3 PLP 142 4.65116
56 1PMO PLR 4.65116
57 2XBN PMP 4.68384
58 4HVK PMP 4.71204
59 6CB2 OLC 4.77816
60 3H2K BOG 4.78589
61 4UHO PLP 4.88372
62 4LNL PLG 5.1051
63 4LNL 2BO 5.1051
64 4LNL 2BK 5.1051
65 2X05 X05 5.11628
66 5YLT SFG 5.32319
67 4BH1 SIA GAL NAG 5.42169
68 1YOK P6L 5.46875
69 3DR4 G4M 5.6266
70 1GTE IUR 5.81395
71 1GTE FMN 5.81395
72 4IYO 0JO 6.04534
73 4IY7 KOU 6.04534
74 4IY7 0JO 6.04534
75 5IWQ PLP 6.04651
76 1ELU PDA 6.15385
77 1ELU CSS 6.15385
78 1B09 PC 6.31068
79 5XFV FMN 6.88623
80 4FL0 PLP 6.97674
81 1UU1 PMP HSA 7.16418
82 2WK9 PLP 7.19794
83 2WK9 PLG 7.19794
84 3EI9 PL6 7.2093
85 1B9I PXG 7.2165
86 1SFF IK2 7.277
87 2Z9V PXM 7.39796
88 3CQ5 PMP 7.58808
89 1ZC9 PMP 7.67442
90 1BCJ NGA 7.79221
91 1LW4 TLP 8.35735
92 1LW4 PLP 8.35735
93 1OVD FMN 8.36013
94 1OVD ORO 8.36013
95 6C8T EQJ 8.7766
96 6C92 EQJ 8.7766
97 6C9B EGV 8.7766
98 6FYQ PLP 8.83721
99 1LC8 33P 9.34066
100 6EWR PMP 9.36768
101 5VEQ PMP 9.48905
102 6C3C EJ1 9.92736
103 2O4J VD4 10.274
104 2PO3 T4K 10.6977
105 5W70 9YM 10.7865
106 5V2J 7WV 11.3953
107 5V2J UDP 11.3953
108 4R5Z PMP 11.9891
109 4R5Z SIN 11.9891
110 4WZH FMN 12.3919
111 4K2M O1G 13.7209
112 4JH6 FCN 13.7681
113 5T4J PLP ABU 14.7945
114 1U08 PLP 15.0259
115 3G4Q MCH 15.0685
116 4JE5 PMP 16.9767
117 4JE5 PLP 16.9767
118 1GEX PLP HSA 18.2584
119 2R5C C6P 20.7459
120 2R5E QLP 20.7459
121 2AY3 MPP 21.8274
122 2R2N KYN 22.3529
123 2R2N PMP 22.3529
124 1M7Y PPG 22.5581
125 1GDE GLU PLP 22.6221
126 3PDB PMP 22.6933
127 3PD6 PMP 22.6933
128 3PD6 KYN 22.6933
129 1OXO IK2 23.4414
130 2ZC0 PMP 24.0786
131 1AJS PLA 25.2427
132 2ZYJ PGU 25.6927
133 6DND PLP 26.5207
134 1TOI HCI 27.5253
135 4RKC PMP 29.397
136 1GCK ASP PLP 38.4416
Pocket No.: 2; Query (leader) PDB : 2X5F; Ligand: PLP; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 2x5f.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1KOJ PAN 1.39535
2 2FAH MLA 1.62791
3 2CXS F6P 1.62791
4 3ZCN ATP 2.1164
5 2X7J TPP 2.32558
6 5YLT C7N 5.32319
7 3UBQ SIA GAL 6.07903
8 2Y88 2ER 6.14754
9 2O2C G6Q 7.2093
10 1FFU FAD 8.58896
11 3WMX THR 8.93855
12 1V2F HCI 37.7953
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