-->
Receptor
PDB id Resolution Class Description Source Keywords
3EAU 1.82 Å EC: 1.-.-.- VOLTAGE-DEPENDENT K+ CHANNEL BETA SUBUNIT IN COMPLEX WITH CORTISONE RATTUS NORVEGICUS KVBETA CORTISONE NADPH CYTOPLASM ION TRANSPORT IONIC CHANNEL NADP PHOSPHOPROTEIN POTASSIUM POTASSIUM TRANSPORT TRANSPORT VOLTAGE-GATED CHANNEL TRANSPORT PROTEIN OXIDOREDUCTASE
Ref.: CORTISONE DISSOCIATES THE SHAKER FAMILY K+ CHANNELS FROM THEIR BETA SUBUNITS. NAT.CHEM.BIOL. V. 4 708 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:1001;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
PDN A:501;
A:601;
Valid;
Valid;
none;
none;
submit data
358.428 C21 H26 O5 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EAU 1.82 Å EC: 1.-.-.- VOLTAGE-DEPENDENT K+ CHANNEL BETA SUBUNIT IN COMPLEX WITH CORTISONE RATTUS NORVEGICUS KVBETA CORTISONE NADPH CYTOPLASM ION TRANSPORT IONIC CHANNEL NADP PHOSPHOPROTEIN POTASSIUM POTASSIUM TRANSPORT TRANSPORT VOLTAGE-GATED CHANNEL TRANSPORT PROTEIN OXIDOREDUCTASE
Ref.: CORTISONE DISSOCIATES THE SHAKER FAMILY K+ CHANNELS FROM THEIR BETA SUBUNITS. NAT.CHEM.BIOL. V. 4 708 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3EAU - PDN C21 H26 O5 C[C@]12CC(....
2 3EB4 - PDN C21 H26 O5 C[C@]12CC(....
3 3EB3 - PDN C21 H26 O5 C[C@]12CC(....
4 1ZSX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3EAU - PDN C21 H26 O5 C[C@]12CC(....
2 3EB4 - PDN C21 H26 O5 C[C@]12CC(....
3 3EB3 - PDN C21 H26 O5 C[C@]12CC(....
4 1ZSX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5T79 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3EAU - PDN C21 H26 O5 C[C@]12CC(....
3 3EB4 - PDN C21 H26 O5 C[C@]12CC(....
4 3EB3 - PDN C21 H26 O5 C[C@]12CC(....
5 1ZSX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Ligand no: 2; Ligand: PDN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PDN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EAU; Ligand: PDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3eau.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3EAU; Ligand: PDN; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 3eau.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6GR0 F8W 1.72414
2 4CL6 7SB 1.75439
3 4CUB GAL NAG 2.73224
4 4G5H UD7 3.66972
5 1QXA GLY GLY GLY 5.53191
6 5A89 FMN 5.76923
7 5A89 ADP 5.76923
8 1YQC GLV 10.5882
9 1O9U ADZ 50
Pocket No.: 3; Query (leader) PDB : 3EAU; Ligand: PDN; 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: 3eau.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3EAU; Ligand: PDN; 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: 3eau.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3EAU; Ligand: PDN; Similar sites found with APoc: 115
This union binding pocket(no: 5) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 5EXK MET 1.52905
2 5AEW BNL 1.52905
3 2GJN FMN 1.52905
4 1YQT ADP 1.83486
5 3TAO PGH 1.87266
6 1DQX BMP 1.87266
7 4F8L AES 2.06897
8 4UTW RFW 2.18341
9 5NNS AKR 2.22222
10 2O66 FLC 2.22222
11 5BOE PEP 2.44648
12 5LNW HG3 2.53165
13 4UTU LRY 2.62009
14 6DZN AE3 2.65487
15 1ZTH ADP 2.71318
16 1A0T SUC 2.75229
17 3AB4 LYS 2.80899
18 3KIF GDL 2.83019
19 5HGZ MLA 2.88066
20 3I7V B4P 2.98507
21 3UG4 AHR 3.0581
22 4LO6 SIA GAL 3.0581
23 1WD4 AHR 3.0581
24 4YMZ 13P 3.18725
25 4JEJ 1GP 3.27869
26 5A04 BGC 3.36391
27 4KCT PYR 3.36391
28 1KC7 PPR 3.36391
29 2Y91 98J 3.39623
30 4I9A NCN 3.47222
31 5HV7 RBL 3.66972
32 3R4Z GLA 3.66972
33 4C2C ALA ALA ALA 3.66972
34 5NM7 GLY 3.66972
35 4OUE IPT 3.66972
36 4BI7 PGA 3.89105
37 4XWM CBI 3.97554
38 6H45 QEI 3.97554
39 1FH8 XYP XIF 4.16667
40 5F7U GLC GLC 4.28135
41 5ZA2 NXL 4.28135
42 3GLC R5P 4.40678
43 2R4V GSH 4.45344
44 1H3F TYE 4.58716
45 5K1F IMP 4.58716
46 4UFH GIF 4.89297
47 3HYK A3P 4.91803
48 4OCX MT1 5.09259
49 4USI AKG 5.19481
50 3X01 AMP 5.19878
51 1OH2 SUC 5.50459
52 3UWV 2PG 5.74713
53 6FYJ MYR 6.11621
54 5TCI MLI 6.11621
55 3EXS 5RP 6.33484
56 1QPR PPC 6.33803
57 6FA4 D1W 6.35838
58 1WOQ BGC 6.36704
59 5N9X THR 6.42202
60 6E1Q CFA 6.42202
61 6BKA FMN 6.42202
62 5NE2 DGL 6.47482
63 4CSD MFU 6.61765
64 1DBT U5P 7.11297
65 3VGL BGC 7.16511
66 1TL2 NDG 7.20339
67 1FDJ 13P 7.33945
68 5AHN IMP 7.64526
69 5N26 CPT 7.69231
70 3RS8 ALA TRP LEU PHE GLU ALA 7.95107
71 1QH9 LAC 8.62069
72 4NAE 1GP 8.88889
73 4RW3 IPD 8.9404
74 5EYW PGA 9.63855
75 3PNA CMP 9.74026
76 3H0L ADP 10.6383
77 3ALT MLB 10.828
78 1UPR 4IP 11.3821
79 3B0P FMN 11.4286
80 2AL2 PEP 11.9266
81 3ZPG 5GP 12.5382
82 1SW0 PGA 12.9032
83 1M9H NAD 13.3094
84 6F7X MFU 13.3333
85 6BVE PGA 13.8776
86 1PVC ILE SER GLU VAL 18.0812
87 4IJR NDP 20.1835
88 3NTY NAP 23.2198
89 3NTY 5P3 23.2198
90 3CV6 HXS 23.839
91 3CV6 NAP 23.839
92 5FUI APY 24.2424
93 1AFS NAP 25.0774
94 1MAR ZST 25.0794
95 1MAR NAP 25.0794
96 5AZ1 NDP 25.6881
97 1MI3 NAD 26.7081
98 3CV7 C2U 27.6923
99 3CV7 NAP 27.6923
100 1VBJ NAP 27.758
101 1VBJ CIT 27.758
102 1FRB ZST 28.254
103 2WZM NA7 28.9753
104 4H8N NDP 29.3548
105 1ZUA NAP 29.9685
106 1ZUA TOL 29.9685
107 1ZGD NAP 30.7692
108 3CAQ NDP 30.9816
109 1EKO NAP 32.381
110 1EKO I84 32.381
111 5ZCM NDP DTT 33.945
112 2BGS NDP 36.0856
113 5Z6T NAP 36.3914
114 1VP5 NAP 38.5906
115 3KRB NAP 40.0612
Pocket No.: 6; Query (leader) PDB : 3EAU; Ligand: PDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3EAU; Ligand: PDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3EAU; Ligand: PDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3EAU; Ligand: NDP; Similar sites found with APoc: 115
This union binding pocket(no: 9) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 5EXK MET 1.52905
2 5AEW BNL 1.52905
3 2GJN FMN 1.52905
4 1YQT ADP 1.83486
5 3TAO PGH 1.87266
6 1DQX BMP 1.87266
7 4F8L AES 2.06897
8 4UTW RFW 2.18341
9 5NNS AKR 2.22222
10 2O66 FLC 2.22222
11 5BOE PEP 2.44648
12 5LNW HG3 2.53165
13 4UTU LRY 2.62009
14 6DZN AE3 2.65487
15 1ZTH ADP 2.71318
16 1A0T SUC 2.75229
17 3AB4 LYS 2.80899
18 3KIF GDL 2.83019
19 5HGZ MLA 2.88066
20 3I7V B4P 2.98507
21 3UG4 AHR 3.0581
22 4LO6 SIA GAL 3.0581
23 1WD4 AHR 3.0581
24 4YMZ 13P 3.18725
25 4JEJ 1GP 3.27869
26 5A04 BGC 3.36391
27 4KCT PYR 3.36391
28 1KC7 PPR 3.36391
29 2Y91 98J 3.39623
30 4I9A NCN 3.47222
31 5HV7 RBL 3.66972
32 3R4Z GLA 3.66972
33 4C2C ALA ALA ALA 3.66972
34 5NM7 GLY 3.66972
35 4OUE IPT 3.66972
36 4BI7 PGA 3.89105
37 4XWM CBI 3.97554
38 6H45 QEI 3.97554
39 1FH8 XYP XIF 4.16667
40 5F7U GLC GLC 4.28135
41 5ZA2 NXL 4.28135
42 3GLC R5P 4.40678
43 2R4V GSH 4.45344
44 1H3F TYE 4.58716
45 5K1F IMP 4.58716
46 4UFH GIF 4.89297
47 3HYK A3P 4.91803
48 4OCX MT1 5.09259
49 4USI AKG 5.19481
50 3X01 AMP 5.19878
51 1OH2 SUC 5.50459
52 3UWV 2PG 5.74713
53 6FYJ MYR 6.11621
54 5TCI MLI 6.11621
55 3EXS 5RP 6.33484
56 1QPR PPC 6.33803
57 6FA4 D1W 6.35838
58 1WOQ BGC 6.36704
59 5N9X THR 6.42202
60 6E1Q CFA 6.42202
61 6BKA FMN 6.42202
62 5NE2 DGL 6.47482
63 4CSD MFU 6.61765
64 1DBT U5P 7.11297
65 3VGL BGC 7.16511
66 1TL2 NDG 7.20339
67 1FDJ 13P 7.33945
68 5AHN IMP 7.64526
69 5N26 CPT 7.69231
70 3RS8 ALA TRP LEU PHE GLU ALA 7.95107
71 1QH9 LAC 8.62069
72 4NAE 1GP 8.88889
73 4RW3 IPD 8.9404
74 5EYW PGA 9.63855
75 3PNA CMP 9.74026
76 3H0L ADP 10.6383
77 3ALT MLB 10.828
78 1UPR 4IP 11.3821
79 3B0P FMN 11.4286
80 2AL2 PEP 11.9266
81 3ZPG 5GP 12.5382
82 1SW0 PGA 12.9032
83 1M9H NAD 13.3094
84 6F7X MFU 13.3333
85 6BVE PGA 13.8776
86 1PVC ILE SER GLU VAL 18.0812
87 4IJR NDP 20.1835
88 3NTY NAP 23.2198
89 3NTY 5P3 23.2198
90 3CV6 HXS 23.839
91 3CV6 NAP 23.839
92 5FUI APY 24.2424
93 1AFS NAP 25.0774
94 1MAR ZST 25.0794
95 1MAR NAP 25.0794
96 5AZ1 NDP 25.6881
97 1MI3 NAD 26.7081
98 3CV7 C2U 27.6923
99 3CV7 NAP 27.6923
100 1VBJ NAP 27.758
101 1VBJ CIT 27.758
102 1FRB ZST 28.254
103 2WZM NA7 28.9753
104 4H8N NDP 29.3548
105 1ZUA NAP 29.9685
106 1ZUA TOL 29.9685
107 1ZGD NAP 30.7692
108 3CAQ NDP 30.9816
109 1EKO NAP 32.381
110 1EKO I84 32.381
111 5ZCM NDP DTT 33.945
112 2BGS NDP 36.0856
113 5Z6T NAP 36.3914
114 1VP5 NAP 38.5906
115 3KRB NAP 40.0612
Pocket No.: 10; Query (leader) PDB : 3EAU; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3EAU; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3EAU; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3eau.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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