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Receptor
PDB id Resolution Class Description Source Keywords
4TWL 2.11 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DIOSCORIN COMPLEXED WITH ASCORBATE DIOSCOREA JAPONICA DIOSCORIN ASCORBATE CARBONIC ANHYDRASE DEHYDROASCORBATE RPLANT PROTEIN
Ref.: YAM TUBER STORAGE PROTEIN REDUCES PLANT OXIDANTS US COUPLED REACTIONS AS CARBONIC ANHYDRASE AND DEHYDRO REDUCTASE MOL PLANT V. 8 1115 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
B:301;
A:302;
B:302;
B:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ASC B:304;
A:303;
Valid;
Valid;
none;
none;
submit data
176.124 C6 H8 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TWL 2.11 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DIOSCORIN COMPLEXED WITH ASCORBATE DIOSCOREA JAPONICA DIOSCORIN ASCORBATE CARBONIC ANHYDRASE DEHYDROASCORBATE RPLANT PROTEIN
Ref.: YAM TUBER STORAGE PROTEIN REDUCES PLANT OXIDANTS US COUPLED REACTIONS AS CARBONIC ANHYDRASE AND DEHYDRO REDUCTASE MOL PLANT V. 8 1115 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4TWL - ASC C6 H8 O6 C([C@@H]([....
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 4TWL - ASC C6 H8 O6 C([C@@H]([....
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 4TWL - 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 : 4TWL; Ligand: ASC; Similar sites found with APoc: 118
This union binding pocket(no: 1) in the query (biounit: 4twl.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3OU2 SAH None
2 2QTR NXX None
3 5YU3 PRO None
4 5YU3 NAD None
5 4H2W 5GP 0.813008
6 4H2X G5A 0.813008
7 3RGA LSB 1.21951
8 1UAS GLA 1.21951
9 6FUL E7Z 1.62602
10 3AVR OGA 1.62602
11 5C8W PCG 2.0979
12 3JRS A8S 2.40385
13 3RUV ANP 2.43902
14 5FQK 6NT 2.43902
15 3NJ4 NAD 2.43902
16 4KX8 L2O VAL VAL ASP 2.43902
17 5WP4 SAH 2.43902
18 4XV1 904 2.43902
19 2X34 UQ8 2.76243
20 4I9B 1KA 2.84553
21 5W0N UPU 2.84553
22 1ZB6 GST 2.84553
23 5UWA 8ND 2.95567
24 5GM1 SAH 3.0303
25 5H9Q TD2 3.22581
26 3E8N ATP 3.25203
27 3E8N VRA 3.25203
28 3SLS 77D 3.25203
29 5F2T PLM 3.25203
30 1KQN NAD 3.25203
31 6F3M NAD 3.25203
32 2X32 OTP 3.35196
33 2C49 ADN 3.65854
34 4EN4 GT0 3.65854
35 4EN4 ATP 3.65854
36 4EN4 GT1 3.65854
37 6E08 NAP 3.65854
38 3OJI PYV 3.7037
39 5NFB 8VT 3.97727
40 1TFZ 869 4.06504
41 4BG4 ADP 4.06504
42 3WV6 GAL BGC 4.06504
43 1Z2P I3S 4.06504
44 1Z2P ACP 4.06504
45 5D2H AKG 4.06504
46 4QCK ASD 4.06504
47 3E2M E2M 4.32432
48 5H9P TD2 4.43038
49 4J36 1HR 4.47154
50 1V8B NAD 4.47154
51 1LVL FAD 4.47154
52 2A8X FAD 4.47154
53 2F5Z FAD 4.87805
54 1YKD CMP 4.87805
55 4XDA ADP 4.87805
56 2ZRU FMN 4.87805
57 3SAO NKN 5
58 3RNM FAD 5.17241
59 5FXD H7Y 5.28455
60 5XLS URA 5.28455
61 6F6D AKG 5.28455
62 5GP0 GPP 5.36913
63 5DQ8 FLF 5.41667
64 1O7Q UDP 5.69106
65 2ZJ1 NAD 5.69106
66 2ZJ1 ARJ 5.69106
67 5HGZ MLA 5.76132
68 5EXE 5SR 6.09756
69 5TZJ UD1 6.09756
70 5H5O PCG 6.20155
71 4WOE ADP 6.50407
72 4W6Z ETF 6.50407
73 4FGC PQ0 6.66667
74 6EHH 2GE 6.81818
75 5AVF TAU 6.91057
76 1FIQ SAL 6.91057
77 3NRZ HPA 6.91057
78 2YMZ LAT 6.92308
79 5ANU 58T 6.96203
80 5AIG VPR 7.2
81 4U03 GTP 7.31707
82 4U03 TLL 7.31707
83 1JCM 137 7.72358
84 3EHH ADP 7.79817
85 2IUW AKG 8.13008
86 3AFN NAP 8.13008
87 4N14 WR7 8.13008
88 6CAY ERG 8.28402
89 2YI0 YI0 8.29694
90 1ZK4 NAP 8.53659
91 5WP5 SAH 8.53659
92 5D48 L96 8.55263
93 2VFT SOR 8.94309
94 1LYB IVA VAL VAL STA ALA STA 9.27835
95 5ETR APC 9.31677
96 5ETR 5RW 9.31677
97 3M3E GAL A2G NPO 9.31677
98 1O6U PLM 9.34959
99 5V03 658 9.39597
100 3KDJ A8S 9.7561
101 6BYM HC3 10.3448
102 2BEK ATP 10.5691
103 1C5C TK4 11.6822
104 3WBF NAP 12.6016
105 1NWW HPN 12.7517
106 1AKV FMN 13.6054
107 4WVW SLT 19.4444
108 6FE1 V14 42.6829
109 4WW8 VD9 43.9024
110 5CJF 520 43.9024
111 1DMY AZM 43.9024
112 5E2N V14 43.9024
113 4YGF AZM 44.0171
114 5NEA 8V8 44.7154
115 4WUP 3UF 44.7154
116 3FW3 ETS 44.7154
117 6H36 FKE 46.3415
118 4COQ SAN 47.561
Pocket No.: 2; Query (leader) PDB : 4TWL; Ligand: ASC; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 4twl.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3C3N FMN 2.03252
2 2JDR L20 2.03252
3 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.03252
4 1A78 TDG 2.23881
5 3MJY FMN 2.43902
6 3MJY IJZ 2.43902
7 1FW1 GSH 2.77778
8 4RVU NDP 2.84553
9 2FLI DX5 3.18182
10 3QVL 5HY 3.26531
11 4ZU4 4TG 4.05405
12 5H62 UDP 4.06504
13 4C0C WVH 4.47154
14 5HZ5 65X 4.47761
15 5FP3 3JI 5.28455
16 4WZH FMN 6.09756
17 1H74 ILE 6.09756
18 2QX0 PH2 6.28931
19 6G5Q EMZ 6.50407
20 2DE4 BPS 6.50407
21 6FOF LAT 6.63265
22 1SLT NDG GAL 6.71642
23 3WUD GLC GAL 9.55882
24 1OVD FMN 11.7886
25 1OVD ORO 11.7886
26 6ALW BNV 11.7886
27 2P7Q GG6 12.0301
28 4QM9 CYS 12.1387
29 1IS3 LAT 15.5556
Pocket No.: 3; Query (leader) PDB : 4TWL; 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: 3) in the query (biounit: 4twl.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4TWL; 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: 4) in the query (biounit: 4twl.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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