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Receptor
PDB id Resolution Class Description Source Keywords
4rp8 2.36 Å EC: 7.-.-.- BACTERIAL VITAMIN C TRANSPORTER ULAA/SGAT IN P21 FORM ESCHERICHIA COLI K-12 PTS VITAMIN C TRANSPORTER L-ASCORBATE L-ASCORBATE-6-P MEPROTEIN
Ref.: CRYSTAL STRUCTURE OF A PHOSPHORYLATION-COUPLED VITA TRANSPORTER NAT.STRUCT.MOL.BIOL. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASC C:501;
A:501;
Valid;
Valid;
none;
none;
Kd = 6.1 uM
176.124 C6 H8 O6 C([C@...
BNG C:502;
Invalid;
none;
submit data
306.395 C15 H30 O6 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RP9 1.65 Å EC: 7.-.-.- BACTERIAL VITAMIN C TRANSPORTER ULAA/SGAT IN C2 FORM ESCHERICHIA COLI K-12 PTS VITAMIN C TRANSPORTER L-ASCORBATE L-ASCORBATE-6-P MEPROTEIN
Ref.: CRYSTAL STRUCTURE OF A PHOSPHORYLATION-COUPLED VITA TRANSPORTER NAT.STRUCT.MOL.BIOL. 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4RP8 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
2 4RP9 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4RP8 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
2 4RP9 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4RP8 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
2 4RP9 Kd = 6.1 uM ASC C6 H8 O6 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ASC 1 1
2 ISD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RP9; Ligand: ASC; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 4rp9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1WNB BTL 0.860215
3 4GAA BES 0.860215
4 1QHO ABD 0.860215
5 3O3R NAP 0.949367
6 1RSG FAD 1.29032
7 5MOB A8S 1.2931
8 3QFS FAD 1.31004
9 1N7G GDR 1.5748
10 5TZJ UD1 1.63043
11 1EIX BMQ 1.63265
12 5TS5 FAD 1.72043
13 1E3I CXF 1.8617
14 3ILR SGN IXD 1.89189
15 4X6X S74 1.93548
16 4GUT FAD 1.93548
17 3NVD OAN 1.93548
18 4GVF NDG 2.00573
19 4GVF NAG 2.00573
20 2RIO ADP 2.07373
21 1O7Q UDP 2.07612
22 1O7Q GAL NAG 2.07612
23 5JNN 6LM 2.10526
24 3O7U O7U 2.10773
25 1JE1 GMP 2.11864
26 4IKR PVP 2.12766
27 2YB9 HA0 2.15054
28 3KCC CMP 2.30769
29 5U3B 7TD 2.34114
30 2Z3Y F2N 2.36559
31 3RUV ANP 2.36559
32 3JRS A8S 2.40385
33 3KDJ A8S 2.47525
34 5CG1 NAD BBN 2.62295
35 5JE0 AZ8 2.83401
36 5JE0 SAH 2.83401
37 2VPQ ANP 2.88248
38 1T57 FMN 2.91262
39 6FS8 E4Z 2.92683
40 4TXJ THM 3.04054
41 1QG6 TCL 3.06513
42 1QG6 NAD 3.06513
43 3CQO FUC 3.07167
44 4I42 1HA 3.15789
45 3OJI PYV 3.1746
46 3KH5 ADP 3.21429
47 3KH5 AMP 3.21429
48 1REO FAD 3.22581
49 3DWB RDF 3.22581
50 1F1V DHY 3.22581
51 1ZPT FAD 3.28947
52 4HEQ FMN 3.42466
53 5EYP GTP 3.44086
54 4N49 SAM 3.50467
55 2HJR APR 3.65591
56 5D9J 0N8 3.74332
57 6FP4 FAD 3.87097
58 3DLS ADP 3.8806
59 3WXB NDP 3.94265
60 3QVP FAD 3.94511
61 1JT2 FER 4.10448
62 3RYC GDP 4.1958
63 3RYC GTP 4.1958
64 4OIC A8S 4.30108
65 4C0X FMN 4.4335
66 1IIM TTP 4.45205
67 4QIJ 1HA 4.49102
68 3BU5 ATP 4.57516
69 4ZUL UN1 4.73118
70 1DL5 SAH 4.73186
71 2VHW NAI 4.77454
72 5ULP KB1 4.85075
73 5J1S ATP 4.87805
74 3VSS FRU 4.94624
75 3TLJ SAH 5.09383
76 2EAE FUC 5.16129
77 4UTG ANP 5.20231
78 4TW7 37K 5.46875
79 3U40 ADN 5.78512
80 1H5T DAU 5.80205
81 1OTH PAO 5.919
82 5FTW SAH 6.45161
83 3A4T SFG 6.56934
84 5ETR 5RW 6.8323
85 5ETR APC 6.8323
86 5GP0 GPP 7.38255
87 2WCI GSH 7.40741
88 1N5D NDP 7.63889
89 2AHR NAP 7.72201
90 6FE1 V14 7.7821
91 4KIL 1R5 7.98122
92 3I54 CMP 8.03213
93 4R57 ACO 8.52273
94 1NVM NAD 8.65385
95 5L95 AMP 11.25
96 1OJK GLC BGC 11.4428
97 3KPB SAM 12.2951
98 3FRH SAH 13.0435
99 4LNU GDP 17.7515
Pocket No.: 2; Query (leader) PDB : 4RP9; Ligand: ASC; 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: 4rp9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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