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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 1443 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 1205 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 1039 families.
1 4J7Q - B7N C45 H85 O13 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: B7N; Similar ligands found: 96
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 IP9 0.707317 0.94
8 PIO 0.707317 0.96
9 52N 0.707317 0.96
10 D21 0.701299 0.84
11 6OU 0.695122 0.711864
12 LOP 0.695122 0.711864
13 L9Q 0.695122 0.711864
14 D3D 0.686747 0.843137
15 PGW 0.686747 0.843137
16 DR9 0.678571 0.843137
17 PGV 0.678571 0.843137
18 P6L 0.670588 0.843137
19 PCW 0.670588 0.66129
20 P50 0.662791 0.736842
21 OZ2 0.662791 0.843137
22 ZPE 0.658824 0.711864
23 GP7 0.633333 0.711864
24 PSC 0.602151 0.66129
25 CD4 0.592593 0.82
26 PEV 0.585366 0.694915
27 PTY 0.585366 0.694915
28 PEH 0.585366 0.694915
29 PEF 0.585366 0.694915
30 8PE 0.585366 0.694915
31 LPP 0.584416 0.82
32 6PH 0.584416 0.82
33 7PH 0.584416 0.82
34 F57 0.584416 0.82
35 3PH 0.584416 0.82
36 1O2 0.580645 0.722222
37 LHG 0.578313 0.823529
38 PEE 0.578313 0.683333
39 PGT 0.578313 0.823529
40 9PE 0.578313 0.694915
41 PX2 0.576923 0.8
42 PX8 0.576923 0.8
43 7P9 0.576923 0.82
44 PEK 0.576087 0.711864
45 P3A 0.576087 0.807692
46 3TF 0.574468 0.722222
47 L9R 0.571429 0.622951
48 POV 0.571429 0.622951
49 6PL 0.564706 0.645161
50 PC7 0.564706 0.645161
51 HGX 0.564706 0.645161
52 P5S 0.564706 0.736842
53 PLD 0.564706 0.645161
54 LIO 0.564706 0.645161
55 HGP 0.564706 0.645161
56 EPH 0.555556 0.711864
57 DB4 0.542169 0.9
58 CN3 0.539326 0.82
59 PD7 0.538462 0.82
60 PIB 0.534884 0.9
61 5P5 0.534884 0.9
62 1L2 0.534653 0.722222
63 XP5 0.523256 0.645161
64 M7U 0.523256 0.82
65 PBU 0.517241 0.9
66 CN6 0.516854 0.82
67 CDL 0.511628 0.745098
68 PGK 0.510638 0.777778
69 DGG 0.510417 0.846154
70 GGD 0.509434 0.727273
71 NKP 0.5 0.803922
72 PCK 0.5 0.615385
73 3PE 0.5 0.627119
74 DLP 0.494949 0.622951
75 44G 0.494118 0.823529
76 44E 0.493671 0.82
77 42H 0.483871 0.666667
78 PSF 0.482759 0.736842
79 S12 0.473118 0.736842
80 MC3 0.472527 0.606557
81 PCF 0.472527 0.606557
82 PC1 0.472527 0.606557
83 OLB 0.469136 0.607843
84 OLC 0.469136 0.607843
85 AGA 0.461538 0.788462
86 PDK 0.457944 0.61194
87 DGA 0.455696 0.6
88 L2C 0.455696 0.6
89 DDR 0.455696 0.6
90 FAW 0.455696 0.6
91 MVC 0.451219 0.607843
92 DGD 0.45098 0.709091
93 SQD 0.44898 0.71875
94 LTC 0.441667 0.61194
95 78N 0.439024 0.607843
96 78M 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 with APoc: 109
This union binding pocket(no: 1) in the query (biounit: 4j7q.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5AIG VPR None
2 5ZCT ANP 1.63399
3 4D52 GIV 1.90476
4 6D61 4AA 2.05128
5 5GLT BGC GAL NAG GAL 2.11268
6 4KBA 1QM 2.1148
7 3B00 16A 2.20588
8 6GNO XDI 2.22222
9 3WG3 A2G GAL NAG FUC 2.24719
10 2UW1 GVM 2.4024
11 3PQB VGP 2.4024
12 3ANY 2A3 2.4024
13 4YGF AZM 2.5641
14 4YLZ LAT NAG GAL 2.61438
15 5C5T AKG 2.63158
16 5O9W AKG 2.7027
17 6FXR AKG 2.7027
18 2ET1 GLV 2.98507
19 2QJY UQ2 3.003
20 5KO1 6UY 3.18021
21 5HV0 AKG 3.22581
22 4M1U A2G MBG 3.367
23 4ZU4 4TG 3.37838
24 4OJ8 AKG 3.41297
25 3RGA LSB 3.53357
26 2JIG PD2 3.57143
27 4L4J NAG NAG BMA MAN NAG 3.61991
28 3W54 RNB 3.64742
29 1C1L GAL BGC 3.64964
30 5XEG AKG 3.8961
31 4M26 AKG 3.9039
32 5OO5 UUA 4.03226
33 4COQ SAN 4.04858
34 4WVW SLT 4.16667
35 5C3R HMU 4.2042
36 5C3R AKG 4.2042
37 4D1J DGJ 4.2042
38 1K3A ACP 4.34783
39 3WV6 GAL BGC 4.39189
40 5X7Q GLC GLC GLC GLC 4.5045
41 6BMS POV 4.5045
42 2C91 TLA 4.5045
43 2QL9 CIT 4.62428
44 4H69 10Y 4.63918
45 1ULE GLA GAL NAG 4.66667
46 4OKD GLC GLC GLC 4.8048
47 3QP8 HL0 4.8913
48 5NLD LBT 5.03597
49 5H9P TD2 5.06329
50 5OES ADP 5.1051
51 4H6B 10Y 5.12821
52 5T7I LAT NAG GAL 5.16129
53 5X13 HC4 5.31915
54 6CAY ERG 5.32544
55 5X3R 7Y3 5.36585
56 5GP0 GPP 5.36913
57 1M0W ANP 5.40541
58 6G5Q EMZ 5.40541
59 4JH6 FCN 5.7971
60 2IUW AKG 5.88235
61 1IS3 LAT 5.92593
62 4NPL AKG 6
63 4W9N TCL 6.00601
64 6BU0 IHP 6.10687
65 2PCU ASP 6.22951
66 2D6M LBT 6.28931
67 4Y24 TD2 6.30631
68 3SP6 IL2 6.31579
69 4RLT FSE 6.32911
70 3AGC RCC 6.52174
71 2PRG BRL 6.64207
72 6CB2 OLC 6.82594
73 4RFR RHN 6.89655
74 1QY1 PRZ 6.89655
75 5JSP DQY 6.96517
76 4OCT AKG 7.20721
77 3NV3 GAL NAG MAN 7.24638
78 3RE4 TO1 7.36434
79 5VNF VAL THR SER VAL VAL 8.40841
80 2Z77 HE7 8.63309
81 2Z77 NCA 8.63309
82 4LIK CIT 8.70871
83 1DZK PRZ 8.9172
84 2GBB CIT 8.97436
85 3SAO DBH 9.375
86 3SAO NKN 9.375
87 4LIT AKG 9.60961
88 2VQ5 HBA 10.4478
89 1J3R 6PG 10.5263
90 1O6U PLM 10.8108
91 2P7Q GG6 11.2782
92 1OLM VTQ 11.7117
93 2DDQ HRB 11.7371
94 5H9Q TD2 12.2581
95 4XCB AKG 12.6437
96 4ZSI 4R1 12.8655
97 4ZSI GLP 12.8655
98 5TPV TYD 13.0719
99 4V1F BQ1 13.9535
100 1W6P NDG GAL 14.1791
101 3ZXE PGZ 14.2857
102 6D5M FW4 14.3713
103 6D5H FV7 14.3713
104 3OYW TDG 15.6716
105 5B09 4MX 19.2308
106 1R5L VIV 26.3359
107 6BSX E7S 26.4045
108 3HX3 RET 27.2152
109 1AUA BOG 34.4595
Pocket No.: 2; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found with APoc: 116
This union binding pocket(no: 2) in the query (biounit: 4j7q.bio3) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1UO5 PIH None
3 5NFB 8VT 1.70455
4 4ZXA H8N 1.78571
5 5AZC PGT 2
6 4U0W 16G 2.03252
7 6BMM OLB 2.04778
8 1E4I NFG 2.1021
9 4OAV ACP 2.1021
10 1LFW AEP 2.1021
11 3ROE THM 2.26415
12 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 2.31788
13 1TV5 N8E 2.4024
14 4MIX UD1 2.4024
15 5V3Y 5V8 2.44755
16 1SBR VIB 2.5
17 4XDA RIB 2.589
18 3N7S 3N7 2.6087
19 1OFL NGK GCD 2.7027
20 3E2M E2M 2.7027
21 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
22 3DAK ANP 2.75862
23 3X01 AMP 3.003
24 4UBS DIF 3.003
25 4UCC ZKW 3.00429
26 3E70 GDP 3.04878
27 3PN1 IVH 3.14465
28 4IA6 EIC 3.3033
29 1GVE CIT 3.36391
30 6AYH C3G 3.48259
31 4LSJ LSJ 3.48837
32 1ZZ7 S0H 3.53535
33 4QDC ASD 3.6036
34 2OZ5 7XY 3.71622
35 4BCN T9N 3.81679
36 4CFU 2WC 3.81679
37 2BHW NEX 3.87931
38 2BHW XAT 3.87931
39 2BP1 FLC 3.88889
40 2BCG GER 3.9039
41 4F4S EFO 3.94737
42 5U6C 7YS 4.12698
43 5LXB 7A9 4.13223
44 5ZIC BMA Z4Y NAG 4.2042
45 1YKD CMP 4.2042
46 5M37 9SZ 4.34783
47 3A51 VDY 4.5045
48 1N2A GTS 4.5045
49 1OGX EQU 4.58015
50 4I90 CHT 4.62046
51 2WH8 II2 4.8048
52 4DXJ 0M9 4.8048
53 2OG7 SIN 4.8048
54 1NF8 BOG 4.83092
55 5W7B MYR 4.96454
56 2GWH PCI 5.03356
57 2PX6 DH9 5.06329
58 5C1M OLC 5.06757
59 5C1M CLR 5.06757
60 2HHP FLC 5.1051
61 3NB0 G6P 5.1051
62 1EYE PMM 5.35714
63 3T03 3T0 5.40541
64 2RH1 CAU 5.40541
65 5A4W QCT 5.66038
66 4TV1 36M 5.9761
67 1R6N 434 6.16114
68 4NM5 ADP 6.30631
69 3B1M KRC 6.36042
70 5TWO 7MV 6.61765
71 3ALN ANP 6.72783
72 5LX9 OLB 7.16612
73 5OLK DTP 7.20721
74 3W5N RAM 8.10811
75 1UBY DMA 8.10811
76 5YW5 ADE 8.37989
77 3ZGJ RMN 8.40841
78 3GC0 AMP 8.51064
79 1MT1 AG2 8.84956
80 2V5E SCR 8.91089
81 4WGF HX2 9.26829
82 4WNP 3RJ 9.40767
83 1NKI PPF 9.62963
84 1DKF OLA 9.87124
85 4YSX E23 10.1064
86 5M36 9SZ 10.5263
87 3I6B KDO 10.5556
88 1RL4 BL5 10.6383
89 1TW4 CHD 11.2
90 5EFQ ADP 12.012
91 1N8V BDD 12.5
92 4OGQ 7PH 13.5135
93 4OGQ 1O2 13.5135
94 2Y69 CHD 13.75
95 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 13.7681
96 5HCN DAO 13.7931
97 2GJ3 FAD 14.1667
98 6D5V FVY 14.3713
99 6D5J FV4 14.3713
100 3SCH TB6 15.1515
101 5B0I BOG 15.4519
102 6AYI C3G 15.5779
103 3DFR MTX 16.0494
104 3TL1 JRO 16.3522
105 1TMX HGX 16.7235
106 1OGZ EQU 16.8
107 2A19 ANP 17.1429
108 1GT4 UNA 18.8679
109 4ZGM 32M 19.3548
110 5ZCO CHD 19.5652
111 5W97 CHD 19.5652
112 1NU4 MLA 19.5876
113 3A6T 8OG 20.9302
114 3HYW DCQ 21.021
115 5XJ7 87O 24.3781
116 2IDO TMP 39.759
Pocket No.: 3; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 4j7q.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4D52 GXL 1.90476
2 3WUD GLC GAL 5.14706
3 2BS5 BGC GAL FUC 6.66667
4 2AGC DAO 6.79012
5 6MPT C30 6.99301
6 1N5S ADL 7.14286
7 6GR0 F8W 8.04598
8 1A99 PUT 8.40841
Pocket No.: 4; Query (leader) PDB : 4J7Q; Ligand: B7N; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 4j7q.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4K10 NI9 4.8048
2 4H6B 10X 5.12821
3 2YKL NLD 10.3774
4 3TTM PUT 12.3123
5 5FYR INS 12.4161
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