Receptor
PDB id Resolution Class Description Source Keywords
2X5D 2.25 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF A PROBABLE AMINOTRANSFERASE FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA 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
LLP A:1400;
Part of Protein;
none;
submit data
375.314 C14 H22 N3 O7 P Cc1c(...
PLP D:1400;
Valid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
SO4 A:1401;
A:1402;
B:1400;
B:1401;
C:1400;
C:1401;
C:1402;
C:1403;
D:1401;
D:1402;
D:1403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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
2X5D 2.25 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF A PROBABLE AMINOTRANSFERASE FROM PSEUDOMONAS AERUGINOSA PSEUDOMONAS AERUGINOSA 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 2X5D - 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 2X5D - 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 2X5D - 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 : 2X5D; Ligand: PLP; Similar sites found: 51
This union binding pocket(no: 1) in the query (biounit: 2x5d.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KP7 NAP 0.04131 0.42022 1.69903
2 1ELU PDA 0.003976 0.44148 2.05128
3 1LW4 PLP 0.01317 0.41156 3.7464
4 1LW4 TLP 0.01559 0.41156 3.7464
5 3WMX THR 0.01637 0.40036 3.91061
6 5X2Z 3LM 0.00158 0.47386 4.0201
7 1DJ9 KAM 0.0006217 0.41176 4.85437
8 1PMO PLR 0.01297 0.40772 4.85437
9 5MX4 HPA 0.01231 0.40306 6.43777
10 5W70 9YM 0.01743 0.4102 6.5534
11 2FYF PLP 0.001195 0.43207 6.78392
12 5C5H 4YB 0.03138 0.40763 7.72627
13 5DJ3 5DK 0.00006277 0.5352 7.97872
14 2O4N TPV 0.03857 0.40023 8.08081
15 1J0X NAD 0.04752 0.41267 10.241
16 4HVK PMP 0.00142 0.42807 11.2565
17 1E5F PLP 0.001356 0.40441 13.6139
18 5W71 9YM 0.04612 0.40964 13.835
19 5W71 PLP 0.01819 0.40565 13.835
20 2FXD DR7 0.01249 0.43068 14.1414
21 4JE5 PMP 0.000000002671 0.65177 14.5631
22 4JE5 PLP 0.000000002648 0.6516 14.5631
23 5IWQ PLP 0.000002152 0.52194 15.2913
24 2XBN PMP 0.0006266 0.49505 15.534
25 1AJS PLA 0.00000003194 0.49837 15.7767
26 4RKC PMP 0.0000002763 0.54744 15.8291
27 2HOX P1T 0.000000001452 0.57618 21.1165
28 1LC8 33P 0.0000005328 0.44612 26.3736
29 1TOI HCI 0.00008318 0.58353 28.0303
30 3PD6 PMP 0.00000007714 0.59321 28.1796
31 3PDB PMP 0.00000008536 0.57445 28.1796
32 3PD6 KYN 0.001885 0.44124 28.1796
33 2R2N PMP 0.00000001238 0.60702 30.3398
34 2R2N KYN 0.00000001135 0.45028 30.3398
35 1GEX PLP HSA 0.00000000222 0.49543 30.8989
36 1UU1 PMP HSA 0.000000007886 0.52874 31.6418
37 1M7Y PPG 0.00000005331 0.43944 32.767
38 3B1E P1T 0.000008761 0.48173 35.2041
39 3CQ5 PMP 0.0000000003809 0.7378 35.2304
40 2ZYJ PGU 0.00000000009997 0.51802 37.7834
41 4R5Z PMP 0.000000008008 0.51701 38.1471
42 4R5Z SIN 0.00000001905 0.46226 38.1471
43 3EI9 PL6 0.0000000004822 0.5367 39.5631
44 2R5C C6P 0.0000004163 0.49342 39.5631
45 2R5E QLP 0.0000004588 0.49212 39.5631
46 3E2Y PMP 0.0000004881 0.54697 40.9756
47 1U08 PLP 0.0000005565 0.55982 41.1917
48 4FL0 PLP 0.0000000002505 0.67147 41.5049
49 2ZC0 PMP 0.000000001802 0.58095 41.769
50 1GDE GLU PLP 0.00000003318 0.53459 48.329
51 1GCK ASP PLP 0.0000001366 0.50574 48.5714
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