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Receptor
PDB id Resolution Class Description Source Keywords
1EXB 2.1 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE CYTOPLASMIC BETA SUBUNIT-T1 ASSEMBLY OF VOLTAGE-DEPENDENT K CHANNELS RATTUS NORVEGICUS ION CHANNEL OXIDOREDUCTASE BETA SUBUNIT METAL TRANSPORT
Ref.: STRUCTURE OF THE CYTOPLASMIC BETA SUBUNIT-T1 ASSEMBLY OF VOLTAGE-DEPENDENT K+ CHANNELS. SCIENCE V. 289 123 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:1000;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EXB 2.1 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE CYTOPLASMIC BETA SUBUNIT-T1 ASSEMBLY OF VOLTAGE-DEPENDENT K CHANNELS RATTUS NORVEGICUS ION CHANNEL OXIDOREDUCTASE BETA SUBUNIT METAL TRANSPORT
Ref.: STRUCTURE OF THE CYTOPLASMIC BETA SUBUNIT-T1 ASSEMBLY OF VOLTAGE-DEPENDENT K+ CHANNELS. SCIENCE V. 289 123 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1EXB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1EXB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1EXB - NDP C21 H30 N7 O17 P3 c1nc(c2c(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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EXB; Ligand: NDP; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 1exb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3TAO PGH 1.87266
2 1DQX BMP 1.87266
3 2O66 FLC 2.22222
4 5EXK MET 2.91262
5 2GJN FMN 2.91262
6 3R4Z GLA 3.61446
7 4OUE IPT 3.8835
8 3PA8 621 3.8835
9 2PW0 TRC 3.8835
10 4BI7 PGA 3.89105
11 5F7U GLC GLC 4.21687
12 3AI8 HNQ 4.85437
13 3HYK A3P 4.91803
14 4USI AKG 5.19481
15 4I9A NCN 5.82524
16 4F8L AES 5.82524
17 5BOE PEP 5.82524
18 1YID ATP 5.82524
19 4KCT PYR 5.82524
20 6FYJ MYR 6.0241
21 1WOQ BGC 6.36704
22 1IZO PAM 6.79612
23 2DC1 CIT 6.79612
24 3VGL BGC 6.92771
25 1DBT U5P 7.11297
26 1FDJ 13P 7.22892
27 1P77 ATR 7.35294
28 5AHN IMP 7.53012
29 5HV7 RBL 7.76699
30 2R4V GSH 7.76699
31 3ITA AIC 7.76699
32 3GLC R5P 7.76699
33 1F76 ORO 7.76699
34 5LNW HG3 7.76699
35 4C2C ALA ALA ALA 8.73786
36 1H3F TYE 8.73786
37 3RS8 ALA TRP LEU PHE GLU ALA 8.73786
38 1QPR PPC 8.73786
39 4UTW RFW 8.73786
40 2Q3M MLA 8.89571
41 3UEC ALA ARG TPO LYS 8.90411
42 3I7V B4P 9.70874
43 4YMZ 13P 9.70874
44 5DZ2 212 9.70874
45 5NM7 GLY 9.70874
46 5N26 CPT 9.70874
47 3PNA CMP 9.74026
48 5A04 BGC 10.6796
49 3UG4 AHR 10.6796
50 1KC7 PPR 10.6796
51 3X01 AMP 10.6796
52 5ZA2 NXL 10.6796
53 3ALT MLB 10.828
54 1UPR 4IP 11.3821
55 3B0P FMN 11.4286
56 3H0L ADP 11.6505
57 4XWM CBI 11.6505
58 1CEB AMH 12.5
59 1QH9 LAC 12.6214
60 1WD4 AHR 12.6214
61 2A19 ANP 12.6214
62 5EYW PGA 12.6214
63 1SW0 PGA 12.9032
64 6E1Q CFA 13.5922
65 4UFH GIF 13.5922
66 6BVE PGA 13.8776
67 1M9H NAD 14.0288
68 3AB4 LYS 14.5631
69 3RF4 FUN 14.5631
70 4NAE 1GP 15.534
71 6FA4 D1W 15.534
72 2FT0 ACO 15.534
73 5TVM PUT 15.534
74 5OCG 9R5 15.534
75 1Z82 G3H 16.5049
76 1Z82 G3P 16.5049
77 2F6U CIT 17.4757
78 4LO6 SIA GAL 18.4466
79 4HKP TKW 18.4466
80 4JEJ 1GP 19.4175
81 4IJR NDP 19.8795
82 1PVC ILE SER GLU VAL 20.3883
83 5N9X THR 21.3592
84 3NTY NAP 23.2198
85 3NTY 5P3 23.2198
86 3CV6 NAP 23.839
87 3CV6 HXS 23.839
88 6GVZ CHO 24.2718
89 1ZQ5 NAP 24.4582
90 1ZQ5 E04 24.4582
91 5UXF 2BA 25
92 1AFS NAP 25.0774
93 1MAR ZST 25.0794
94 1MAR NAP 25.0794
95 5AZ1 NDP 25.3012
96 6CGN DA 26.2136
97 1MI3 NAD 26.7081
98 3WG6 NDP 27.0358
99 3CV7 NAP 27.6923
100 3CV7 C2U 27.6923
101 1VBJ NAP 27.758
102 1FRB ZST 28.254
103 2WZM NA7 28.9753
104 4H8N NDP 29.3548
105 1ZUA TOL 29.9685
106 1ZUA NAP 29.9685
107 3O3R NAP 30.0633
108 1ZGD NAP 30.7692
109 3WCZ NAP 30.8442
110 3CAQ NDP 30.9816
111 1RRC ADP 32.0388
112 1EKO NAP 32.381
113 1EKO I84 32.381
114 2BGS NDP 35.5422
115 5Z6T NAP 35.8434
116 2BP1 NDP 38.5542
117 5ZCM NDP DTT 38.5542
118 1VP5 NAP 38.5906
119 3H7U NAP 38.8554
120 3H7R NAP 40.0602
121 3KRB NAP 40.0602
122 1GVE NAP 40.6728
123 2C91 NAP 40.9639
124 2C91 TLA 40.9639
125 5JH2 A2P 40.9677
126 1YNQ NDP 45.7413
127 1PZ1 NAP 46.3855
128 5M36 9SZ 47.3684
129 1LQA NDP 48.7952
130 1PZ0 NAP 49.359
Pocket No.: 2; Query (leader) PDB : 1EXB; 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: 2) in the query (biounit: 1exb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1EXB; 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: 3) in the query (biounit: 1exb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1EXB; 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: 4) in the query (biounit: 1exb.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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