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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 510 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 391 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 298 families.
1 4B2Z - P5S C42 H82 N O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P5S; Similar ligands found: 92
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 PEF 0.75 0.90566
6 8PE 0.75 0.90566
7 PTY 0.75 0.90566
8 PEH 0.75 0.90566
9 PGT 0.73913 0.843137
10 LHG 0.73913 0.843137
11 9PE 0.73913 0.90566
12 PEE 0.714286 0.888889
13 CN3 0.702703 0.84
14 6PL 0.694444 0.745763
15 HGX 0.694444 0.745763
16 PC7 0.694444 0.745763
17 LIO 0.694444 0.745763
18 HGP 0.694444 0.745763
19 PLD 0.694444 0.745763
20 LPP 0.681818 0.803922
21 6PH 0.681818 0.803922
22 7PH 0.681818 0.803922
23 F57 0.681818 0.803922
24 3PH 0.681818 0.803922
25 CN6 0.675676 0.84
26 PX2 0.671642 0.784314
27 PX8 0.671642 0.784314
28 7P9 0.671642 0.803922
29 P50 0.670886 0.960784
30 6OU 0.662338 0.888889
31 LOP 0.662338 0.888889
32 L9Q 0.662338 0.888889
33 D3D 0.653846 0.826923
34 PGW 0.653846 0.826923
35 DR9 0.64557 0.826923
36 PGV 0.64557 0.826923
37 XP5 0.643836 0.745763
38 PGK 0.6375 0.796296
39 P6L 0.6375 0.826923
40 44G 0.633803 0.843137
41 PII 0.631579 0.75
42 OZ2 0.62963 0.826923
43 PD7 0.626866 0.803922
44 ZPE 0.625 0.888889
45 PCW 0.617284 0.733333
46 PIF 0.615385 0.736842
47 S12 0.615385 0.960784
48 DGG 0.614458 0.796296
49 PIO 0.6125 0.736842
50 52N 0.6125 0.736842
51 CDL 0.608108 0.764706
52 PIZ 0.604938 0.719298
53 PCK 0.60241 0.709677
54 D21 0.6 0.788462
55 M7U 0.6 0.803922
56 GP7 0.6 0.888889
57 PEK 0.595238 0.888889
58 IP9 0.592593 0.719298
59 44E 0.573529 0.803922
60 PSC 0.568182 0.733333
61 B7N 0.564706 0.736842
62 3PE 0.551282 0.830189
63 AGA 0.544304 0.807692
64 PDK 0.542553 0.786885
65 8ND 0.541667 0.648148
66 PCF 0.5375 0.706897
67 PC1 0.5375 0.706897
68 MC3 0.5375 0.706897
69 PIE 0.505618 0.689655
70 P3A 0.505618 0.792453
71 T7X 0.505376 0.736842
72 EPH 0.505263 0.888889
73 LPS 0.487179 0.960784
74 POV 0.483146 0.694915
75 L9R 0.483146 0.694915
76 LPC 0.475 0.779661
77 LP3 0.475 0.779661
78 LAP 0.475 0.779661
79 NKO 0.472222 0.803922
80 NKN 0.472222 0.803922
81 CN5 0.433735 0.823529
82 DLP 0.427083 0.694915
83 42H 0.426966 0.766667
84 PC5 0.426829 0.629032
85 PBU 0.423529 0.684211
86 NKP 0.419753 0.788462
87 GYM 0.414286 0.607843
88 1QW 0.414286 0.607843
89 PGM 0.4125 0.788462
90 DB4 0.409639 0.684211
91 GSE 0.405797 0.784314
92 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: 237
This union binding pocket(no: 1) in the query (biounit: 4b2z.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4IEN GDP None
2 1UO5 PIH None
3 4ZH7 FUC GAL NAG GAL FUC 1.11607
4 2Z3U CRR 1.17647
5 5EO8 TFU 1.28617
6 1USR SIA WIA 1.33929
7 3VRY B43 1.33929
8 1K0E TRP 1.33929
9 4TXJ THM 1.5625
10 2ZYI STE 1.5625
11 1H82 FAD 1.5625
12 1H82 GZZ 1.5625
13 3KVY URA 1.61812
14 5MRH Q9Z 1.78571
15 3W5N RAM 1.78571
16 6F6D AKG 1.78571
17 6B9T 2HE 1.78571
18 1U6R ADP 1.84211
19 1U6R IOM 1.84211
20 2P4S DIH 1.87668
21 4RF7 ARG 2.00893
22 4IP7 FLC 2.00893
23 3JQF AX2 2.08333
24 4CLR FDB 2.08333
25 3B6R ADP 2.09974
26 4KBA 1QM 2.1148
27 5W4W 9WG 2.1148
28 3EUF BAU 2.13415
29 1Q8Y ADE 2.14477
30 2Z77 HE7 2.15827
31 3GD9 GLC BGC BGC BGC 2.17984
32 3JQ3 ADP 2.18579
33 4KCT PYR 2.23214
34 5A1S FLC 2.23214
35 4BG4 ADP 2.24719
36 5EZU MYR 2.24719
37 1H2K OGA 2.29226
38 1H2M OGA 2.29226
39 5ISY NAD 2.3166
40 1U0A BGC BGC BGC BGC 2.33645
41 4FE2 AIR 2.35294
42 4MOB ADP 2.40964
43 4RD0 GDP 2.40964
44 3HQP OXL 2.45536
45 1YFS ALA 2.45536
46 3FW9 SLX 2.45536
47 5F7J ADE 2.5
48 5H9P TD2 2.53165
49 1ODJ GMP 2.55319
50 4NOS ITU 2.57611
51 1GPM AMP 2.67857
52 5JZJ AN2 2.67857
53 4PAB THG 2.67857
54 1Z03 OCH 2.69058
55 4OCT AKG 2.7027
56 4MGA 27L 2.7451
57 1RYD GLC 2.84238
58 3LTW HLZ 2.85714
59 1VRP IOM 2.88714
60 1VRP ADP 2.88714
61 1VMK GUN 2.88809
62 6FA4 D1W 2.89017
63 1ZNY GDP 2.89855
64 3PP0 03Q 2.95858
65 2VQ5 HBA 2.98507
66 1OIJ AKG 2.99003
67 5H2U 1N1 2.99625
68 4KCF FMN 3.125
69 6E1Q CFA 3.125
70 6EK3 OUL 3.16742
71 3QXV MTX 3.1746
72 1SDW IYT 3.18471
73 5F6U 5VK 3.18471
74 5IFK HPA 3.20513
75 3ZGJ RMN 3.2345
76 1NW4 IMH 3.26087
77 3QSB 743 3.27869
78 6GH9 MIX 3.28767
79 5DYO FLU 3.30189
80 5L2R MLA 3.34821
81 3THR C2F 3.41297
82 3RF4 FUN 3.44828
83 1QKQ MAN 3.52113
84 5KO1 6UY 3.53357
85 3QPB URA 3.5461
86 5W75 SUC 3.57143
87 3FIU AMP 3.61446
88 1SW0 PGA 3.62903
89 3V8S 0HD 3.65854
90 3KFF ZBT 3.7037
91 3KFF XBT 3.7037
92 4LED XXR 3.73134
93 4ITH RCM 3.7415
94 3A16 PXO 3.75335
95 3JU6 ANP 3.78378
96 1I1E DM2 3.79464
97 5MJA 7O3 3.93443
98 2VDF OCT 3.95257
99 3KO0 TFP 3.9604
100 4YJK URA 3.96825
101 5LUN OGA 3.97727
102 4B0T ADP 4.01786
103 5YJS SAL 4.10256
104 4EXO PYR 4.10959
105 4XJ7 ADN 4.11985
106 4DM8 REA 4.11985
107 1RJW ETF 4.12979
108 5V3D FCN 4.13793
109 5N2D 8J8 4.16667
110 5LY1 PPI 4.19948
111 3VKX T3 4.21456
112 2GQS C2R 4.21941
113 4WOE ADP 4.24107
114 5UL4 SAM 4.24107
115 1GZF NIR 4.2654
116 5ETJ IM5 4.32099
117 4ZTD ALA GLY ALA GLY ALA 4.34783
118 1F5F DHT 4.39024
119 4YUS FMN 4.45026
120 1VR0 3SL 4.45344
121 1DZK PRZ 4.4586
122 1I1Q TRP 4.46429
123 5H9Y BGC BGC BGC BGC 4.5045
124 1ZY5 ANP 4.62046
125 2I6A 5I5 4.63768
126 4BTV RB3 4.65116
127 3KV5 OGA 4.6875
128 5NIU 8YZ 4.6875
129 1LFO OLA 4.6875
130 5EJL C2E 4.83871
131 5D9G GLU ASN LEU TYR PHE GLN 4.87805
132 2CDC XYS 4.91071
133 1Y7P RIP 4.93274
134 5T8U LPA 5
135 3CBC DBS 5.05051
136 1KDK DHT 5.08475
137 2G50 PYR 5.13393
138 4L9I 8PR 5.13393
139 4XRZ SI6 5.13393
140 1VHW ADN 5.13834
141 4LOO SB4 5.26316
142 2PR5 FMN 5.30303
143 5TZO 7V7 5.31915
144 3BFF FPM 5.34351
145 5LXB 7A9 5.3719
146 3JUQ AJD 5.40541
147 1OW4 2AN 5.42636
148 4M6T SAM 5.46448
149 2ET1 GLV 5.47264
150 6CC0 EWM 5.48523
151 3ZJX BOG 5.53633
152 5HES 032 5.53746
153 2H8H H8H 5.58036
154 4YVN EBS 5.58036
155 3ESS 18N 5.65217
156 2PNC CLU 5.80357
157 4XMF HSM 5.97826
158 6F4W FMC 6.00858
159 5L6G XYP 6.02679
160 1MFI FHC 6.14035
161 2W9S TOP 6.21118
162 1OFL NGK GCD 6.25
163 4HSJ 6PC 6.32184
164 5VNF VAL THR SER VAL VAL 6.36943
165 4RYV ZEA 6.45161
166 5OMY 9YE 6.69643
167 1JE1 GMP 6.91964
168 3CM2 X23 6.92308
169 2BWA GLC BGC 7.04846
170 2QHV OC9 7.14286
171 3V1S 0LH 7.14286
172 1QDS PGA 7.17131
173 5VM6 9EG 7.29927
174 3HAV ATP 7.35786
175 5XQW 8EU 7.37327
176 5LJB RTL 7.40741
177 1OPB RET 7.46269
178 2XG5 EC2 7.51445
179 2XG5 EC5 7.51445
180 4YRI 4JH 7.58929
181 4L4J NAG NAG BMA MAN NAG 7.69231
182 1BWO LPC 7.77778
183 4D9M 0JO 7.78894
184 1G2O IMH 7.83582
185 5OCG 9R5 7.93651
186 1DQE BOM 8.0292
187 1QAW TRP 8.10811
188 2G30 ALA ALA PHE 8.13953
189 6GNO XDI 8.14815
190 5WS9 OXL 8.25893
191 4DDY DN6 8.36502
192 5LX6 78P 8.37696
193 5LGD PLM 8.37989
194 5HWV MBN 8.46154
195 5T96 79J 8.47953
196 3ZO7 K6H 8.51064
197 3H0L ADP 8.51064
198 4YGF AZM 8.54701
199 1M6P M6P 8.55263
200 1LNX URI 8.64198
201 5TQZ GLC 8.66667
202 4K55 H6P 8.87097
203 1UPR 4IP 8.94309
204 5KJW 53C 9.36768
205 5OF1 SAL 9.52381
206 4CQE CQE 9.71223
207 2AGC DAO 9.87654
208 1ELI PYC 10.0446
209 2YKL NLD 10.1852
210 3G4Q MCH 10.274
211 2ZMF CMP 10.582
212 1J3R 6PG 11.0526
213 4OTH DRN 11.1437
214 6GR0 F8W 11.8304
215 5CLO NS8 11.8644
216 6DW2 HD4 12.2363
217 4RHS SIA SIA GAL 12.2951
218 5G48 1FL 12.2995
219 3BJE URA 12.3209
220 5KY9 GDP 12.5
221 6C5F 7L9 12.8205
222 1NX4 AKG 12.8205
223 3HCH RSM 13.0137
224 3DZ6 PUT 13.4328
225 5TVF CGQ 14.1176
226 5W10 CMP 14.359
227 5TV6 PML 14.5833
228 3U40 ADN 14.876
229 4A34 FUL 17.0068
230 4M1U A2G MBG 18.5714
231 1GT4 UNA 18.8679
232 3T4L ZEA 19.2593
233 5H5J FAD 21.6495
234 2WEI VGG 24.7387
235 5KEW 6SB 29.7872
236 2P7Q GG6 36.8421
237 5H2D ERG 38.6207
Pocket No.: 2; Query (leader) PDB : 4B2Z; Ligand: P5S; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 4b2z.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1USR SIA 1.33929
2 4QAR ADE 1.49254
3 3N9O OGA 1.5625
4 3N9Q OGA 1.5625
5 3N9P OGA 1.5625
6 6BXI ANP 1.8018
7 1C3X 8IG 1.8797
8 4IAW LIZ 2.65957
9 1EX7 5GP 2.68817
10 4R38 RBF 2.85714
11 3PQB VGP 2.90179
12 1F9V ADP 3.17003
13 5ZJ5 NAI 3.7037
14 1JG3 VAL TYR PRO IAS HIS ALA 3.82979
15 1H70 CIR 3.92157
16 1KGI T4A 3.93701
17 1GQG DCD 4
18 4OR7 25U 4.24242
19 5FPE 3TR 4.39277
20 3T1A 5MA 4.6875
21 3DFR MTX 4.93827
22 4M26 AKG 4.94506
23 1SU2 ATP 5.03145
24 5DMZ ADP 5.20548
25 4FK7 P34 5.24017
26 6D61 4AA 5.64103
27 1ZTH ADP 5.81395
28 1NKI PPF 5.92593
29 4G0P U5P 6.12245
30 1QY1 PRZ 6.32184
31 4XBA GMP 6.5
32 4JH6 FCN 6.52174
33 4ZU4 4TG 6.75676
34 1WAP TRP 8
35 3G1Z AMP 8.28221
36 3ZZQ TRP 9.23077
37 3ZZS TRP 9.23077
38 2BVE PH5 9.2437
39 4D06 NAR 9.54064
40 5VKM GAL SIA 9.87654
41 2AZC 3TL 10.101
42 4B1M FRU FRU 10.2703
43 5ACM MBT 16.2162
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