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 473 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 355 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 272 families.
1 4B2Z - P5S C42 H82 N O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P5S; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 P5S 1 1
2 PSF 0.873016 1
3 CD4 0.787879 0.84
4 PEV 0.75 0.90566
5 8PE 0.75 0.90566
6 PEH 0.75 0.90566
7 PTY 0.75 0.90566
8 PEF 0.75 0.90566
9 LHG 0.73913 0.843137
10 PGT 0.73913 0.843137
11 9PE 0.73913 0.90566
12 PEE 0.714286 0.888889
13 CN3 0.702703 0.84
14 HGX 0.694444 0.745763
15 LIO 0.694444 0.745763
16 HGP 0.694444 0.745763
17 PLD 0.694444 0.745763
18 PC7 0.694444 0.745763
19 6PL 0.694444 0.745763
20 7PH 0.681818 0.803922
21 3PH 0.681818 0.803922
22 LPP 0.681818 0.803922
23 6PH 0.681818 0.803922
24 CN6 0.675676 0.84
25 PX2 0.671642 0.784314
26 7P9 0.671642 0.803922
27 L9Q 0.662338 0.888889
28 LOP 0.662338 0.888889
29 PGW 0.653846 0.826923
30 DR9 0.64557 0.826923
31 PGV 0.64557 0.826923
32 XP5 0.643836 0.745763
33 P6L 0.6375 0.826923
34 PGK 0.6375 0.796296
35 44G 0.633803 0.843137
36 PII 0.631579 0.75
37 OZ2 0.62963 0.826923
38 PD7 0.626866 0.803922
39 ZPE 0.625 0.888889
40 PCW 0.617284 0.733333
41 PIF 0.615385 0.736842
42 S12 0.615385 0.960784
43 DGG 0.614458 0.796296
44 52N 0.6125 0.736842
45 PIO 0.6125 0.736842
46 CDL 0.608108 0.764706
47 PIZ 0.604938 0.719298
48 PCK 0.60241 0.709677
49 GP7 0.6 0.888889
50 M7U 0.6 0.803922
51 PEK 0.595238 0.888889
52 IP9 0.592593 0.719298
53 44E 0.573529 0.803922
54 PSC 0.568182 0.733333
55 B7N 0.564706 0.736842
56 3PE 0.551282 0.830189
57 AGA 0.544304 0.807692
58 PDK 0.542553 0.786885
59 8ND 0.541667 0.648148
60 PCF 0.5375 0.706897
61 PC1 0.5375 0.706897
62 MC3 0.5375 0.706897
63 P3A 0.505618 0.792453
64 PIE 0.505618 0.689655
65 T7X 0.505376 0.736842
66 EPH 0.505263 0.888889
67 LPS 0.487179 0.960784
68 L9R 0.483146 0.694915
69 LAP 0.475 0.779661
70 LP3 0.475 0.779661
71 LPC 0.475 0.779661
72 NKN 0.472222 0.803922
73 CN5 0.433735 0.823529
74 DLP 0.427083 0.694915
75 42H 0.426966 0.766667
76 PC5 0.426829 0.629032
77 PBU 0.423529 0.684211
78 NKP 0.419753 0.788462
79 GYM 0.414286 0.607843
80 PGM 0.4125 0.788462
81 DB4 0.409639 0.684211
82 GSE 0.405797 0.784314
83 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: 69
This union binding pocket(no: 1) in the query (biounit: 4b2z.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IEN GDP 0.01675 0.41262 None
2 1UO5 PIH 0.03679 0.41013 None
3 3VRY B43 0.006557 0.41005 1.33929
4 1K0E TRP 0.02704 0.40567 1.33929
5 2ZYI STE 0.003488 0.42164 1.5625
6 1H82 FAD 0.005559 0.40057 1.5625
7 1H82 GZZ 0.006955 0.40045 1.5625
8 5MRH Q9Z 0.0007741 0.4983 1.78571
9 2P4S DIH 0.01811 0.41792 1.87668
10 4IP7 FLC 0.0456 0.40803 2.00893
11 3B6R ADP 0.008327 0.42735 2.09974
12 4KBA 1QM 0.004092 0.46005 2.1148
13 3EUF BAU 0.006469 0.43652 2.13415
14 3JQ3 ADP 0.005069 0.45039 2.18579
15 4KCT PYR 0.03639 0.40953 2.23214
16 4BG4 ADP 0.00165 0.4571 2.24719
17 1H2K OGA 0.02264 0.42312 2.29226
18 1H2M OGA 0.02707 0.41914 2.29226
19 4FE2 AIR 0.009757 0.43567 2.35294
20 1ODJ GMP 0.02733 0.40543 2.55319
21 1GPM AMP 0.03136 0.40851 2.67857
22 4OCT AKG 0.0369 0.40556 2.7027
23 1RYD GLC 0.0006329 0.51604 2.84238
24 3LTW HLZ 0.04534 0.40766 2.85714
25 3PP0 03Q 0.005796 0.40959 2.95858
26 5BVE 4VG 0.004819 0.40434 3.04709
27 3ZGJ RMN 0.04573 0.40418 3.2345
28 3RF4 FUN 0.04739 0.4071 3.44828
29 3FIU AMP 0.04441 0.40132 3.61446
30 5MX4 HPA 0.004686 0.46033 3.86266
31 2VDF OCT 0.0001326 0.52517 3.95257
32 3KO0 TFP 0.02981 0.42492 3.9604
33 5N2D 8J8 0.008779 0.41936 4.16667
34 1DZK PRZ 0.0009002 0.47406 4.4586
35 1I1Q TRP 0.04565 0.40422 4.46429
36 4GJY OGA 0.0297 0.41772 4.68085
37 3KV5 OGA 0.03974 0.41541 4.6875
38 1LFO OLA 0.01943 0.40327 4.6875
39 1KDK DHT 0.005521 0.41902 5.08475
40 2G50 PYR 0.007059 0.45545 5.13393
41 1VHW ADN 0.02258 0.41673 5.13834
42 3BFF FPM 0.007402 0.45736 5.34351
43 3JUQ AJD 0.01323 0.40234 5.40541
44 1OW4 2AN 0.04195 0.40263 5.42636
45 4M6T SAM 0.04976 0.40126 5.46448
46 2ET1 GLV 0.03829 0.41297 5.47264
47 3ZJX BOG 0.007989 0.45292 5.53633
48 4YVN EBS 0.02837 0.42027 5.58036
49 3ESS 18N 0.03317 0.4181 5.65217
50 4XMF HSM 0.001498 0.49393 5.97826
51 1OFL NGK GCD 0.01891 0.42228 6.25
52 2QHV OC9 0.0434 0.40541 7.14286
53 1QDS PGA 0.04604 0.4005 7.17131
54 1OPB RET 0.01768 0.41146 7.46269
55 2XG5 EC5 0.001514 0.47594 7.51445
56 2XG5 EC2 0.001514 0.47594 7.51445
57 4L4J NAG NAG BMA MAN NAG 0.03006 0.40977 7.69231
58 4D9M 0JO 0.01355 0.40189 7.78894
59 1G2O IMH 0.01784 0.41128 7.83582
60 2G30 ALA ALA PHE 0.000004432 0.61378 8.13953
61 5LGD PLM 0.01171 0.41045 8.37989
62 1UPR 4IP 0.01032 0.42462 8.94309
63 4CQE CQE 0.01292 0.40559 9.71223
64 2AGC DAO 0.01847 0.42531 9.87654
65 2YKL NLD 0.002557 0.46096 10.1852
66 2ZMF CMP 0.004844 0.43136 10.582
67 4Q3F TLA 0.02166 0.40752 12.8205
68 3T4L ZEA 0.003549 0.44136 19.2593
69 5H2D ERG 0.00002955 0.41946 38.6207
Pocket No.: 2; Query (leader) PDB : 4B2Z; Ligand: P5S; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 4b2z.bio2) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QAR ADE 0.01115 0.42481 1.49254
2 4IAW LIZ 0.002288 0.46825 2.65957
3 1EX7 5GP 0.03544 0.41408 2.68817
4 4R38 RBF 0.01642 0.40373 2.85714
5 3QSB 743 0.003921 0.45616 3.27869
6 4K3P ACE GLN LEU ALA LEU PHE 0.01952 0.40029 3.27869
7 3DFR MTX 0.01998 0.41575 4.93827
8 4M26 AKG 0.0472 0.40748 4.94506
9 1SU2 ATP 0.02123 0.40445 5.03145
10 5DMZ ADP 0.01802 0.40785 5.20548
11 4G0P U5P 0.04205 0.40962 6.12245
12 1WAP TRP 0.03343 0.40105 8
13 3G1Z AMP 0.0468 0.40012 8.28221
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