Receptor
PDB id Resolution Class Description Source Keywords
4B2Z 1.95 Å NON-ENZYME: BINDING STRUCTURE OF OSH6 IN COMPLEX WITH PHOSPHATIDYLSERINE SACCHAROMYCES CEREVISIAE TRANSPORT PROTEIN LIPID TRANSPORT
Ref.: INTERACTOME MAP UNCOVERS PHOSPHATIDYLSERINE TRANSPO OXYSTEROL-BINDING PROTEINS NATURE V. 501 257 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1435;
B:1435;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
DTT B:1437;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
P5S B:1436;
A:1436;
Valid;
Valid;
none;
none;
submit data
792.075 C42 H82 N O10 P CCCCC...
DTU A:1437;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B2Z 1.95 Å NON-ENZYME: BINDING STRUCTURE OF OSH6 IN COMPLEX WITH PHOSPHATIDYLSERINE SACCHAROMYCES CEREVISIAE TRANSPORT PROTEIN LIPID TRANSPORT
Ref.: INTERACTOME MAP UNCOVERS PHOSPHATIDYLSERINE TRANSPO OXYSTEROL-BINDING PROTEINS NATURE V. 501 257 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 4B2Z - P5S C42 H82 N O10 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 4B2Z - P5S C42 H82 N O10 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4B2Z - P5S C42 H82 N O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P5S; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 P5S 1 1
2 PSF 0.873016 1
3 CD4 0.787879 0.84
4 PEF 0.75 0.90566
5 8PE 0.75 0.90566
6 PTY 0.75 0.90566
7 PEH 0.75 0.90566
8 PEV 0.75 0.90566
9 PGT 0.73913 0.843137
10 9PE 0.73913 0.90566
11 LHG 0.73913 0.843137
12 PEE 0.714286 0.888889
13 CN3 0.702703 0.84
14 PC7 0.694444 0.745763
15 HGX 0.694444 0.745763
16 HGP 0.694444 0.745763
17 PX4 0.694444 0.745763
18 PLD 0.694444 0.745763
19 LIO 0.694444 0.745763
20 6PL 0.694444 0.745763
21 F57 0.681818 0.803922
22 6PH 0.681818 0.803922
23 LPP 0.681818 0.803922
24 3PH 0.681818 0.803922
25 7PH 0.681818 0.803922
26 CN6 0.675676 0.84
27 PX2 0.671642 0.784314
28 7P9 0.671642 0.803922
29 PX8 0.671642 0.784314
30 P50 0.670886 0.960784
31 L9Q 0.662338 0.888889
32 6OU 0.662338 0.888889
33 LOP 0.662338 0.888889
34 PA8 0.656716 0.784314
35 D3D 0.653846 0.826923
36 PGW 0.653846 0.826923
37 PGV 0.64557 0.826923
38 DR9 0.64557 0.826923
39 XP5 0.643836 0.745763
40 P6L 0.6375 0.826923
41 PGK 0.6375 0.796296
42 44G 0.633803 0.843137
43 PII 0.631579 0.75
44 OZ2 0.62963 0.826923
45 PD7 0.626866 0.803922
46 ZPE 0.625 0.888889
47 PCW 0.617284 0.733333
48 PIF 0.615385 0.736842
49 S12 0.615385 0.960784
50 DGG 0.614458 0.796296
51 52N 0.6125 0.736842
52 PIO 0.6125 0.736842
53 CDL 0.608108 0.764706
54 PIZ 0.604938 0.719298
55 PCK 0.60241 0.709677
56 GP7 0.6 0.888889
57 M7U 0.6 0.803922
58 D21 0.6 0.788462
59 PEK 0.595238 0.888889
60 HXG 0.594595 0.745763
61 IP9 0.592593 0.719298
62 44E 0.573529 0.803922
63 PSC 0.568182 0.733333
64 B7N 0.564706 0.736842
65 3PE 0.551282 0.830189
66 AGA 0.544304 0.807692
67 PDK 0.542553 0.786885
68 8ND 0.541667 0.648148
69 MC3 0.5375 0.706897
70 PC1 0.5375 0.706897
71 PCF 0.5375 0.706897
72 P3A 0.505618 0.792453
73 PIE 0.505618 0.689655
74 T7X 0.505376 0.736842
75 EPH 0.505263 0.888889
76 LPS 0.487179 0.960784
77 L9R 0.483146 0.694915
78 POV 0.483146 0.694915
79 LAP 0.475 0.779661
80 LP3 0.475 0.779661
81 LPC 0.475 0.779661
82 NKO 0.472222 0.803922
83 NKN 0.472222 0.803922
84 CN5 0.433735 0.823529
85 DLP 0.427083 0.694915
86 42H 0.426966 0.766667
87 PC5 0.426829 0.629032
88 PBU 0.423529 0.684211
89 NKP 0.419753 0.788462
90 GYM 0.414286 0.607843
91 1QW 0.414286 0.607843
92 PGM 0.4125 0.788462
93 DB4 0.409639 0.684211
94 GSE 0.405797 0.784314
95 PCJ 0.4 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B2Z; Ligand: P5S; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4b2z.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4B2Z; Ligand: P5S; 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: 4b2z.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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