Receptor
PDB id Resolution Class Description Source Keywords
4J7Q 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE SFH3 COMPLEXED PHOSPHATIDYLINOSITOL SACCHAROMYCES CEREVISIAE SEC14 SCAFFOLD LIPID TRANSPORT PHOSPHATIDYLINOSITOL
Ref.: STRUCTURAL DETERMINANTS FOR PHOSPHATIDYLINOSITOL RE BY SFH3 AND SUBSTRATE-INDUCED DIMER-MONOMER TRANSIT DURING LIPID TRANSFER CYCLES. FEBS LETT. V. 587 1610 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B7N B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
865.122 C45 H85 O13 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J7Q 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SACCHAROMYCES CEREVISIAE SFH3 COMPLEXED PHOSPHATIDYLINOSITOL SACCHAROMYCES CEREVISIAE SEC14 SCAFFOLD LIPID TRANSPORT PHOSPHATIDYLINOSITOL
Ref.: STRUCTURAL DETERMINANTS FOR PHOSPHATIDYLINOSITOL RE BY SFH3 AND SUBSTRATE-INDUCED DIMER-MONOMER TRANSIT DURING LIPID TRANSFER CYCLES. FEBS LETT. V. 587 1610 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4J7Q - B7N C45 H85 O13 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 1068 families.
1 4J7Q - B7N C45 H85 O13 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 922 families.
1 4J7Q - B7N C45 H85 O13 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: B7N; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 B7N 1 1
2 PII 0.875 0.979592
3 T7X 0.819277 1
4 PIE 0.768293 0.94
5 PIF 0.75641 0.96
6 PIZ 0.719512 0.94
7 52N 0.707317 0.96
8 PIO 0.707317 0.96
9 IP9 0.707317 0.94
10 LOP 0.695122 0.711864
11 L9Q 0.695122 0.711864
12 PGW 0.686747 0.843137
13 DR9 0.678571 0.843137
14 PGV 0.678571 0.843137
15 P6L 0.670588 0.843137
16 PCW 0.670588 0.66129
17 OZ2 0.662791 0.843137
18 ZPE 0.658824 0.711864
19 GP7 0.633333 0.711864
20 PSC 0.602151 0.66129
21 CD4 0.592593 0.82
22 8PE 0.585366 0.694915
23 PEF 0.585366 0.694915
24 PTY 0.585366 0.694915
25 PEH 0.585366 0.694915
26 PEV 0.585366 0.694915
27 3PH 0.584416 0.82
28 7PH 0.584416 0.82
29 6PH 0.584416 0.82
30 LPP 0.584416 0.82
31 1O2 0.580645 0.722222
32 LHG 0.578313 0.823529
33 PGT 0.578313 0.823529
34 9PE 0.578313 0.694915
35 PEE 0.578313 0.683333
36 PX2 0.576923 0.8
37 7P9 0.576923 0.82
38 PEK 0.576087 0.711864
39 P3A 0.576087 0.807692
40 3TF 0.574468 0.722222
41 L9R 0.571429 0.622951
42 PC7 0.564706 0.645161
43 PLD 0.564706 0.645161
44 HGP 0.564706 0.645161
45 6PL 0.564706 0.645161
46 LIO 0.564706 0.645161
47 P5S 0.564706 0.736842
48 HGX 0.564706 0.645161
49 EPH 0.555556 0.711864
50 DB4 0.542169 0.9
51 CN3 0.539326 0.82
52 PD7 0.538462 0.82
53 5P5 0.534884 0.9
54 PIB 0.534884 0.9
55 1L2 0.534653 0.722222
56 M7U 0.523256 0.82
57 XP5 0.523256 0.645161
58 PBU 0.517241 0.9
59 CN6 0.516854 0.82
60 CDL 0.511628 0.745098
61 PGK 0.510638 0.777778
62 DGG 0.510417 0.846154
63 GGD 0.509434 0.727273
64 NKP 0.5 0.803922
65 PCK 0.5 0.615385
66 3PE 0.5 0.627119
67 DLP 0.494949 0.622951
68 44G 0.494118 0.823529
69 44E 0.493671 0.82
70 42H 0.483871 0.666667
71 PSF 0.482759 0.736842
72 S12 0.473118 0.736842
73 PC1 0.472527 0.606557
74 PCF 0.472527 0.606557
75 MC3 0.472527 0.606557
76 OLB 0.469136 0.607843
77 OLC 0.469136 0.607843
78 AGA 0.461538 0.788462
79 PDK 0.457944 0.61194
80 DDR 0.455696 0.6
81 L2C 0.455696 0.6
82 DGA 0.455696 0.6
83 MVC 0.451219 0.607843
84 DGD 0.45098 0.709091
85 SQD 0.44898 0.71875
86 LTC 0.441667 0.61194
87 78M 0.439024 0.607843
88 78N 0.439024 0.607843
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4j7q.bio3) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found: 87
This union binding pocket(no: 2) in the query (biounit: 4j7q.bio3) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.002355 0.42287 None
2 5AIG VPR 0.01686 0.42022 None
3 4ZXA H8N 0.03648 0.40652 1.78571
4 4U0W 16G 0.01836 0.40436 2.03252
5 1E4I NFG 0.00253 0.46289 2.1021
6 1LFW AEP 0.03769 0.40213 2.1021
7 4KBA 1QM 0.0318 0.4097 2.1148
8 1SN0 T44 0.006988 0.4356 2.30769
9 3PQB VGP 0.006781 0.41482 2.4024
10 1TV5 N8E 0.03637 0.4105 2.4024
11 3ANY 2A3 0.04731 0.40308 2.4024
12 4MIX UD1 0.02529 0.40085 2.4024
13 1SBR VIB 0.01987 0.4248 2.5
14 3N7S 3N7 0.03377 0.41779 2.6087
15 5C5T AKG 0.03629 0.40665 2.63158
16 1OFL NGK GCD 0.02485 0.42205 2.7027
17 3E2M E2M 0.008543 0.40192 2.7027
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.001421 0.50798 2.72109
19 2ET1 GLV 0.03293 0.41277 2.98507
20 2WA4 069 0.02247 0.4101 3.003
21 4UBS DIF 0.03448 0.40137 3.003
22 4UCC ZKW 0.02507 0.42167 3.00429
23 5KO1 6UY 0.01374 0.41364 3.18021
24 4IA6 EIC 0.03135 0.42144 3.3033
25 1GVE CIT 0.0116 0.43572 3.36391
26 3RGA LSB 0.007783 0.4255 3.53357
27 4L4J NAG NAG BMA MAN NAG 0.005178 0.43584 3.61991
28 1C1L GAL BGC 0.03938 0.4035 3.64964
29 4BCN T9N 0.01352 0.42121 3.81679
30 4CFU 2WC 0.0217 0.40737 3.81679
31 2BP1 FLC 0.01294 0.44261 3.88889
32 4WVW SLT 0.004578 0.45353 4.16667
33 5C3R HMU 0.002752 0.4431 4.2042
34 5C3R AKG 0.002752 0.4431 4.2042
35 1YKD CMP 0.01078 0.41526 4.2042
36 3A51 VDY 0.01063 0.41555 4.5045
37 2C91 TLA 0.02907 0.4109 4.5045
38 1OGX EQU 0.01452 0.41597 4.58015
39 4I90 CHT 0.03648 0.40922 4.62046
40 2QL9 CIT 0.0173 0.43335 4.62428
41 1ULE GLA GAL NAG 0.00359 0.46584 4.66667
42 4OKD GLC GLC GLC 0.008317 0.44813 4.8048
43 2WH8 II2 0.009994 0.42781 4.8048
44 2OG7 SIN 0.02565 0.40911 4.8048
45 1NF8 BOG 0.006077 0.46113 4.83092
46 2PX6 DH9 0.02104 0.40472 5.06329
47 2HHP FLC 0.0006687 0.46063 5.1051
48 4H6B 10Y 0.03854 0.40163 5.12821
49 5T7I LAT NAG GAL 0.02643 0.41917 5.16129
50 1EYE PMM 0.02881 0.40464 5.35714
51 4JH6 FCN 0.02684 0.41361 5.7971
52 2IUW AKG 0.04629 0.40099 5.88235
53 4W9N TCL 0.02885 0.41828 6.00601
54 2PCU ASP 0.02831 0.41239 6.22951
55 5TWO 7MV 0.01428 0.40336 6.61765
56 1EPB REA 0.002151 0.45224 6.70732
57 3ALN ANP 0.01585 0.41065 6.72783
58 4AZT LY2 0.04094 0.40025 6.90691
59 5LX9 OLB 0.01451 0.41599 7.16612
60 4OCT AKG 0.00557 0.44493 7.20721
61 3RE4 TO1 0.02626 0.41028 7.36434
62 1UBY DMA 0.005859 0.42771 8.10811
63 3ZGJ RMN 0.04309 0.40266 8.40841
64 3GC0 AMP 0.01814 0.41479 8.51064
65 2Z77 HE7 0.002958 0.42425 8.63309
66 1MT1 AG2 0.02393 0.42503 8.84956
67 2V5E SCR 0.01211 0.40915 8.91089
68 1DZK PRZ 0.02026 0.40551 8.9172
69 3SAO DBH 0.004224 0.46497 9.375
70 3SAO NKN 0.008299 0.43605 9.375
71 4WNP 3RJ 0.02229 0.41027 9.40767
72 1DKF OLA 0.02781 0.40205 9.87124
73 3I6B KDO 0.04473 0.40558 10.5556
74 1RL4 BL5 0.01909 0.40706 10.6383
75 1O6U PLM 0.0281 0.40182 10.8108
76 1OLM VTQ 0.004344 0.40868 11.7117
77 5HCN DAO 0.02451 0.41985 13.7931
78 3OYW TDG 0.01947 0.42527 15.6716
79 3DFR MTX 0.02123 0.41134 16.0494
80 3TL1 JRO 0.01202 0.43661 16.3522
81 1TMX HGX 0.009179 0.409 16.7235
82 2A19 ANP 0.0286 0.40836 17.1429
83 3A6T 8OG 0.02434 0.40166 20.9302
84 3HYW DCQ 0.04235 0.40977 21.021
85 1R5L VIV 0.003492 0.41818 26.3359
86 1AUA BOG 0.00293 0.46964 34.4595
87 2IDO TMP 0.0164 0.43306 39.759
Pocket No.: 3; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found: 7
This union binding pocket(no: 3) in the query (biounit: 4j7q.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WG3 A2G GAL NAG FUC 0.0314 0.4052 2.24719
2 4D1J DGJ 0.03302 0.40018 4.2042
3 3SP6 IL2 0.01151 0.4006 6.31579
4 2AGC DAO 0.01491 0.41721 6.79012
5 1IF7 SBR 0.02144 0.41456 6.94981
6 1N5S ADL 0.01005 0.41 7.14286
7 1W6P NDG GAL 0.0214 0.40668 14.1791
Pocket No.: 4; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 4j7q.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4H6B 10X 0.02888 0.40245 5.12821
2 2YKL NLD 0.01697 0.40642 10.3774
3 3TTM PUT 0.0428 0.40405 12.3123
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