-->
Receptor
PDB id Resolution Class Description Source Keywords
2J8Z 2.5 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN P53 INDUCIBLE OXIDOREDUCTASE ( TP53I3,PIG3) HOMO SAPIENS MEDIUM-CHAIN DEHYDROGENASE- REDUCTASES OXIDOREDUCTASE QUINOXIDOREDUCTASE OXIDATIVE STRESS RESPONSE
Ref.: THREE-DIMENSIONAL STRUCTURE AND ENZYMATIC FUNCTION PROAPOPTOTIC HUMAN P53-INDUCIBLE QUINONE OXIDOREDUC PIG3. J.BIOL.CHEM. V. 284 17194 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:1334;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J8Z 2.5 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN P53 INDUCIBLE OXIDOREDUCTASE ( TP53I3,PIG3) HOMO SAPIENS MEDIUM-CHAIN DEHYDROGENASE- REDUCTASES OXIDOREDUCTASE QUINOXIDOREDUCTASE OXIDATIVE STRESS RESPONSE
Ref.: THREE-DIMENSIONAL STRUCTURE AND ENZYMATIC FUNCTION PROAPOPTOTIC HUMAN P53-INDUCIBLE QUINONE OXIDOREDUC PIG3. J.BIOL.CHEM. V. 284 17194 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2J8Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2J8Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2J8Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J8Z; Ligand: NAP; Similar sites found with APoc: 209
This union binding pocket(no: 1) in the query (biounit: 2j8z.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4MDH NAD 1.1976
2 5MDH NAD 1.2012
3 1YS4 NAP 1.41243
4 5J7W MTX 1.5873
5 3ABI NAD 1.69492
6 1V8B NAD 1.69492
7 3H9E NAD 1.7341
8 2DBZ NAP 1.79641
9 3BAZ NAP 1.8018
10 4WCX MET 1.9774
11 3CL5 SIO 1.9774
12 4PEG 5GP 1.9774
13 1X7D ORN 2
14 1X7D NAD 2
15 1T26 NAI 2.17391
16 1T26 GBD 2.17391
17 2GZ3 NAP 2.18579
18 1LTH NAD 2.19436
19 1GV0 NAD 2.25806
20 5KOD IAC 2.25989
21 1U1I NAD 2.25989
22 5BU2 AMP 2.25989
23 1SAY PYR 2.25989
24 4XYB NDP 2.25989
25 1WDK NAD 2.25989
26 4JCA CIT 2.39521
27 2GCG NDP 2.42424
28 5TC4 NAD 2.53165
29 6F92 MVL 2.54237
30 1J5P NAD 2.7668
31 1RM0 D6P 2.82486
32 1BW9 NAD 2.82486
33 5CQG 55C 2.82486
34 1C1X NAD 2.82486
35 2CST MAE 2.82486
36 1RM0 NAI 2.82486
37 1FDJ 13P 2.82486
38 1BXG NAD 2.82486
39 3CIF NAD 2.82486
40 2HK9 ATR 2.90909
41 2HK9 NAP 2.90909
42 3EGI ADP 2.91262
43 1DIG NAP 2.94118
44 1DSS NAD 3.003
45 1OMO NAD 3.10559
46 5MB4 NAG 3.10734
47 1VKO NAD 3.10734
48 5MB4 NDG 3.10734
49 5KKA 6V0 3.20513
50 1HYH NAD 3.23625
51 5NUE NAD 3.31325
52 1J6W MET 3.42857
53 1SBR VIB 3.5
54 5A1T NAI 3.51906
55 4YJK URA 3.57143
56 2VYN NAD 3.62538
57 1E5Q NDP 3.67232
58 4TQK NAG 3.67232
59 3OND NAD 3.68852
60 3OND ADN 3.68852
61 1NYT NAP 3.69004
62 5NXX 3Q7 3.73134
63 2DT5 NAD 3.79147
64 1NVT NAP 3.83275
65 1UXG NAD 3.8835
66 1UXG FUM 3.8835
67 3QPB URA 3.90071
68 1VHW ADN 3.95257
69 1GQ2 NAP 3.9548
70 5ZDK ATP 3.9548
71 4TR9 ASP TRP ASN 3.9548
72 6CZY PMP 3.9548
73 3W68 4PT 4.13534
74 4PTZ FMN 4.18848
75 2B5W NAP 4.20168
76 5DXE EST 4.21456
77 5WGQ EST 4.21456
78 1U8X NAD 4.23729
79 4XZ3 COA 4.23729
80 4UP4 NAG 4.23729
81 4UP4 NDG 4.23729
82 4UP4 GAL NAG 4.23729
83 3BJE URA 4.29799
84 3UUD EST 4.38247
85 4BVA NDP 4.47761
86 4BVA T3 4.47761
87 6F90 MVL 4.51977
88 5M67 NAD 4.51977
89 5M67 ADE 4.51977
90 5M67 3D1 4.51977
91 1GAD NAD 4.54545
92 5YU3 PRO 4.65116
93 5YU3 NAD 4.65116
94 5TVF PUT 4.70588
95 1GR0 NAD 4.80226
96 1PZG A3D 4.80226
97 1CER NAD 4.83384
98 5EES NAP 4.8583
99 5IDB BMA 4.92958
100 5UAV NDP 4.96894
101 5UAV TFB 4.96894
102 4JK3 NAD 5.01931
103 3NJ4 NAD 5.08475
104 3NJ4 AFX 5.08475
105 1NVM NAD 5.21739
106 5B0I BOG 5.24781
107 4J4H 1J1 5.40541
108 4J4H NAI 5.40541
109 3KVY URA 5.50162
110 1EBF NAD 5.58659
111 2A92 NAI 5.60748
112 1EZ4 NAD 5.66038
113 3H8V ATP 5.82192
114 1YYE 196 5.97015
115 4RDN 6MD 5.98802
116 6BII NAP 6.00601
117 2CDC XYP 6.21469
118 2CDC NAP 6.21469
119 2CDC XYS 6.21469
120 5ZZ6 ADP 6.25
121 5ZZ6 NAD 6.25
122 1L5Y BEF 6.45161
123 3VPH OXM 6.45161
124 2F1K NAP 6.81004
125 2CDU ADP 7.06215
126 5TOW ADN 7.34463
127 5TOW NAI 7.34463
128 4Z0H NAD 7.48503
129 3NGL NAP 7.6087
130 4IF4 BEF 7.69231
131 4MP8 MLI 7.9646
132 4MP8 NAD 7.9646
133 1F06 NDP 8.125
134 1F06 2NP 8.125
135 2VHW NAI 8.19209
136 1BWO LPC 8.88889
137 1F8F NAD 9.03955
138 3ACT BGC 9.03955
139 6APL C5P 9.03955
140 3B1F NAD 9.31034
141 4AVV CD 9.31373
142 2ZJ1 NAD 9.88701
143 2ZJ1 ARJ 9.88701
144 2VT3 ATP 10.2326
145 1P0F NAP 10.452
146 2JHF NAD 11.2994
147 1D1T NAD 11.2994
148 6BJO DUY 12
149 4ZVV NAD 12.3494
150 4ZVV GN0 12.3494
151 4GEV CB3 12.5
152 1KOL NAD 12.5628
153 3QH2 3NM 12.6697
154 1LSS NAD 12.8571
155 5VKT NAP 12.9834
156 1U3U BNF 14.6893
157 1U3U NAD 14.6893
158 2ZB3 NDP 14.7309
159 5H81 NAP 15.4242
160 2DC1 NAD 15.678
161 1KEV NDP 16.5242
162 4FC7 NAP 16.6065
163 4FC7 COA 16.6065
164 1E3I CXF 16.9492
165 2DM6 NAP 17.7177
166 2DM6 IMN 17.7177
167 3QV1 NAD 18.2927
168 4CQM NAP 18.4426
169 1YQD NAP 18.5792
170 4ISK 1JY 19.3182
171 1NCE CB3 19.3182
172 1AIQ CB3 19.3182
173 6CDZ CB3 19.3916
174 1BQ1 CB3 19.697
175 5FII PHE 21.5686
176 5OVK NDP 22.2656
177 5L95 AMP 22.5
178 2ZB4 NAP 22.9692
179 2ZB4 5OP 22.9692
180 5FI3 NAP 23.8095
181 3TWO NDP 24.7126
182 4RQU NAD 25.1412
183 3WLE NAD 25.5132
184 1PL6 NAD 26.4045
185 1PL6 572 26.4045
186 1CDO NAD 26.8362
187 1YKF NAP 27.2727
188 2FZW NAD 27.6836
189 4Y1B NAP 30.226
190 5O9F NAD 32.3864
191 5O9F 9ON 32.3864
192 4WAS NAP 33.3333
193 4WAS COO 33.3333
194 3GFB NAD 34
195 3JYN NDP 35.0769
196 1N9G NAP 35.5932
197 1R37 NAD 35.7349
198 2DFV NAD 35.7349
199 4W6Z 8ID 41.4986
200 4A0S NAP 42.3729
201 4JBI NDP 42.9379
202 5DP2 NAP 42.9825
203 4GKV NAD 43.1548
204 4IDC 1XX 44.8795
205 4IDC NDP 44.8795
206 1H2B NAJ 45.1977
207 1LLU NAD 45.3216
208 5DOZ NDP 48.5207
209 3QWB NDP 48.8024
Pocket No.: 2; Query (leader) PDB : 2J8Z; Ligand: NAP; 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: 2j8z.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback