Receptor
PDB id Resolution Class Description Source Keywords
2XBN 1.4 Å EC: 2.3.1.50 INHIBITION OF THE PLP-DEPENDENT ENZYME SERINE PALMITOYLTRANSFERASE BY CYCLOSERINE: EVIDENCE FOR A NOVEL D ECARBOXYLATIVE MECHANISM OF INACTIVATION SPHINGOMONAS PAUCIMOBILIS TRANSFERASE PYRIDOXAL PHOSPHATE
Ref.: INHIBITION OF THE PLP-DEPENDENT ENZYME SERINE PALMITOYLTRANSFERASE BY CYCLOSERINE: EVIDENCE FOR A NOVEL DECARBOXYLATIVE MECHANISM OF INACTIVATION. MOL.BIOSYSTEMS V. 6 1682 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1421;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
PMP A:1420;
Valid;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XBN 1.4 Å EC: 2.3.1.50 INHIBITION OF THE PLP-DEPENDENT ENZYME SERINE PALMITOYLTRANSFERASE BY CYCLOSERINE: EVIDENCE FOR A NOVEL D ECARBOXYLATIVE MECHANISM OF INACTIVATION SPHINGOMONAS PAUCIMOBILIS TRANSFERASE PYRIDOXAL PHOSPHATE
Ref.: INHIBITION OF THE PLP-DEPENDENT ENZYME SERINE PALMITOYLTRANSFERASE BY CYCLOSERINE: EVIDENCE FOR A NOVEL DECARBOXYLATIVE MECHANISM OF INACTIVATION. MOL.BIOSYSTEMS V. 6 1682 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BMK - PLP MYB n/a n/a
2 2XBN - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 2W8W - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
4 2W8J - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BMK - PLP MYB n/a n/a
2 2XBN - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 2W8W - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
4 2W8J - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BMK - PLP MYB n/a n/a
2 2XBN - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
3 2W8W - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
4 2W8J - PLS C11 H17 N2 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 PLG 0.57377 0.866667
5 IN5 0.57377 0.912281
6 P1T 0.571429 0.825397
7 CKT 0.5625 0.85
8 PLR 0.557692 0.781818
9 TLP 0.553846 0.881356
10 2BK 0.553846 0.881356
11 2BO 0.553846 0.881356
12 PDA 0.546875 0.881356
13 PDD 0.546875 0.881356
14 PP3 0.546875 0.881356
15 ILP 0.544118 0.852459
16 IK2 0.538462 0.825397
17 33P 0.538462 0.896552
18 5PA 0.530303 0.825397
19 PLS 0.530303 0.866667
20 PMH 0.530303 0.742857
21 PLP 0.527273 0.767857
22 C6P 0.522388 0.866667
23 PPD 0.522388 0.866667
24 ORX 0.521127 0.854839
25 PXM 0.52 0.735849
26 PZP 0.517857 0.836364
27 PLA 0.514706 0.8125
28 PY5 0.514706 0.8125
29 PL2 0.514286 0.84127
30 QLP 0.514286 0.815385
31 PE1 0.513889 0.854839
32 PPG 0.513514 0.825397
33 P0P 0.508772 0.8
34 HEY 0.507042 0.8125
35 3LM 0.5 0.787879
36 7TS 0.5 0.702703
37 EA5 0.5 0.828125
38 7XF 0.5 0.83871
39 CBA 0.5 0.83871
40 PGU 0.5 0.83871
41 PDG 0.5 0.83871
42 9YM 0.493151 0.868852
43 DCS 0.492958 0.712329
44 LCS 0.492958 0.675676
45 LPI 0.492958 0.776119
46 PMG 0.492958 0.787879
47 76U 0.486111 0.825397
48 PY6 0.486111 0.787879
49 PL4 0.48 0.854839
50 N5F 0.479452 0.825397
51 PSZ 0.479452 0.8
52 4LM 0.462687 0.725806
53 0JO 0.462687 0.714286
54 AN7 0.461538 0.741379
55 PXG 0.460526 0.866667
56 RW2 0.460526 0.8
57 PL8 0.454545 0.732394
58 FOO 0.454545 0.75
59 NPL 0.45 0.898305
60 FEV 0.449275 0.714286
61 KAM 0.448718 0.825397
62 RMT 0.448718 0.765625
63 1D0 0.444444 0.8
64 2B1 0.443038 0.690141
65 DN9 0.443038 0.742857
66 7B9 0.443038 0.764706
67 EVM 0.442857 0.786885
68 P3D 0.442857 0.85
69 EPC 0.439394 0.789474
70 MP5 0.438596 0.728814
71 PLP CYS 0.43662 0.836066
72 EXT 0.432836 0.79661
73 AQ3 0.426829 0.8125
74 2B6 0.426829 0.662162
75 MPM 0.414286 0.75
76 F0G 0.414286 0.762712
77 PLP 2TL 0.410959 0.85
78 KOU 0.408451 0.8
79 PLP SEP 0.405405 0.85
80 PLP BH2 0.405405 0.85
81 SEP PLP 0.405405 0.85
82 HCP 0.402778 0.741935
83 LEU PLP 0.4 0.822581
84 Z98 0.4 0.777778
85 PFM 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XBN; Ligand: PMP; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2xbn.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 5TXR PLP 42.1546
2 1DJ9 KAM 46.3542
Pocket No.: 2; Query (leader) PDB : 2XBN; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xbn.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
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