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Receptor
PDB id Resolution Class Description Source Keywords
1QB7 1.5 Å EC: 2.-.-.- CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFERASE FROM LEISHMANIA DONOVANI. LEISHMANIA DONOVANI DINUCLEOTIDE BINDING FOLD TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFE LEISHMANIA DONOVANI. EMBO J. V. 18 3533 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:300;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
CIT A:325;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
MG A:335;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QB7 1.5 Å EC: 2.-.-.- CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFERASE FROM LEISHMANIA DONOVANI. LEISHMANIA DONOVANI DINUCLEOTIDE BINDING FOLD TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFE LEISHMANIA DONOVANI. EMBO J. V. 18 3533 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1QB8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1QB7 - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1MZV - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1QB8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 1QB7 - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1MZV - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1QB8 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 1QB7 - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QB7; Ligand: ADE; Similar sites found with APoc: 229
This union binding pocket(no: 1) in the query (biounit: 1qb7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2FXV 5GP None
2 5HZ9 5M8 None
3 1XKQ NDP None
4 5MQW GTP 1.27119
5 5MQW ATP 1.27119
6 2PWY SAH 1.27119
7 4HKP TKW 1.27119
8 2AWN ADP 1.27119
9 5VLQ ANP 1.69492
10 5EOB 5QQ 1.69492
11 5THY SAH 1.69492
12 5UBG PRT 1.76991
13 3P48 DUP 2.04082
14 4R74 F6P 2.11864
15 1IG3 VIB 2.11864
16 1LOR BMP 2.19298
17 3HVJ 705 2.26244
18 2BW7 ECS 2.28311
19 6C2Z P1T 2.54237
20 4UCI SAM 2.54237
21 4DJA DLZ 2.54237
22 4DJA FAD 2.54237
23 2Q8Z NUP 2.54237
24 5DEY 59T 2.54237
25 3TKA SAM 2.54237
26 3VHE 42Q 2.54237
27 4UTG ANP 2.54237
28 2DKH FAD 2.54237
29 2DKH 3HB 2.54237
30 4GJ3 0XP 2.54237
31 6FQZ 6PG 2.54237
32 3GXO SAH 2.54237
33 3LN9 FLC 2.8777
34 2BES RES 2.90698
35 3FXU TSU 2.9661
36 4AUT FAD 2.9661
37 3QJ4 FAD 2.9661
38 1RP0 AHZ 2.9661
39 3PC3 P1T 2.9661
40 4YSW NAI 2.9661
41 4YSW FAD 2.9661
42 5HMY LNY 2.9661
43 3THR C2F 2.9661
44 1IOW ADP 2.9661
45 1IOW PHY 2.9661
46 4POO SAM 3
47 5XHA FRU 3.38983
48 2Q4W FAD 3.38983
49 3VC3 C6P 3.38983
50 3RS8 ALA TRP LEU PHE GLU ALA 3.38983
51 5D85 P1T 3.38983
52 4ZA8 F5C 3.38983
53 4ZA8 4LU 3.38983
54 4ZA8 FZZ 3.38983
55 2BRY FAD 3.38983
56 3GRU AMP 3.38983
57 3RNM FAD 3.38983
58 3X44 PUS 3.38983
59 5HCY 60D 3.38983
60 2OYS FMN 3.38983
61 2QTR NXX 3.7037
62 4DSG FAD 3.81356
63 4YRY NAD 3.81356
64 1QAN SAH 3.81356
65 4YRY FAD 3.81356
66 3FC2 IBI 3.81356
67 1NW5 SAM 3.81356
68 6DNT NAD 3.81356
69 4J75 TYM 3.81356
70 3ABI NAD 3.81356
71 3QH2 3NM 4.0724
72 3W8X FAD 4.23729
73 3W8X FTK 4.23729
74 5Y6Q FAD 4.23729
75 3ZEI AWH 4.23729
76 2V58 LZJ 4.23729
77 1D4D FAD 4.23729
78 4I54 1C1 4.23729
79 4Z87 GDP 4.23729
80 5H3A D16 4.23729
81 3VYW SAM 4.23729
82 2DPM SAM 4.23729
83 3BP1 GUN 4.23729
84 1HGX 5GP 4.37158
85 1BZY IMU 4.60829
86 2UUU FAD 4.66102
87 2UUU PL3 4.66102
88 1O94 ADP 4.66102
89 1DJN ADP 4.66102
90 5X20 NAD 4.66102
91 1HSK FAD 4.66102
92 1QK3 5GP 4.72103
93 4XVU ATP 4.78261
94 4OOP DUP 4.81928
95 3LXK MI1 5.08475
96 3WVR AMP 5.08475
97 1BZL FAD 5.08475
98 4W6Z ETF 5.08475
99 2IZ1 ATR 5.08475
100 3C3Y SAH 5.08475
101 4O8A FAD 5.08475
102 5F3I 5UJ 5.08475
103 1FWV SGA MAG FUC 5.22388
104 5G5G FAD 5.50847
105 3MB5 SAM 5.50847
106 2PQ9 GG9 5.50847
107 2AHR NAP 5.50847
108 1XHL NDP 5.50847
109 1P1C SAH 5.52764
110 1I1N SAH 5.75221
111 5AE2 FYC 5.9322
112 5AE2 FAD 5.9322
113 1E8G FAD 5.9322
114 1E8G FCR 5.9322
115 4P8K FAD 5.9322
116 4P8K 38C 5.9322
117 1WG8 SAM 5.9322
118 2BEK ATP 5.9322
119 5GVR LMR 5.98291
120 1JNR FAD 6
121 5C79 PBU 6
122 1PZM 5GP 6.16114
123 2PS1 ORO 6.19469
124 2PS1 PRP 6.19469
125 1D6S MET PLP 6.21118
126 1D6S PLP MET 6.21118
127 1XX6 ADP 6.28272
128 1P19 IMP 6.33484
129 3NRR D16 6.35593
130 3OTI TYD 6.35593
131 3NRR UMP 6.35593
132 5NM7 GLY 6.35593
133 3A4T SFG 6.35593
134 1N2X SAM 6.35593
135 4ZAH T5K 6.35593
136 1IZC PYR 6.35593
137 3B8X G4M 6.35593
138 1RM6 FAD 6.77966
139 4ZAC 4LU 6.77966
140 1XCL SAH 6.80851
141 3W6X HZP 6.9869
142 5E5U MLI 7.20339
143 2GQT FAD 7.20339
144 3ABA FLI 7.20339
145 5TWB FAD 7.20339
146 1J3I UMP 7.20339
147 1V7C HEY 7.20339
148 2RGJ FAD 7.20339
149 1YFZ IMP 7.31707
150 2JKY 5GP 7.51174
151 3S1S SAH 7.62712
152 5XVG 8FX 7.62712
153 2NPX FAD 7.62712
154 4PPF FLC 7.62712
155 2OG2 MLI 8.05085
156 1JG3 ADN 8.08511
157 4P86 5GP 8.19672
158 1W4R TTP 8.20513
159 4P83 U5P 8.24176
160 6FLZ MMA 8.33333
161 1LH0 PRP 8.4507
162 1LH0 ORO 8.4507
163 4ZOH FAD 8.47458
164 3SSO SAH 8.47458
165 3TII ANP 8.47458
166 1DL5 SAH 8.47458
167 4ZOH MCN 8.47458
168 1PS9 NAP 8.8983
169 4FZV SAM 8.8983
170 2WQ4 SFU 8.97436
171 1E6E FAD 9.32203
172 1E1M FAD 9.32203
173 1E1M NAP 9.32203
174 1VAY AZA 9.32203
175 5ERG SAM 9.74576
176 4BLW AMP 9.74576
177 4BLW SAH 9.74576
178 1U3G THF 10.0529
179 6APV 3L4 10.1852
180 2JBH 5GP 10.2222
181 4JLS 3ZE 10.5263
182 1UPR 4IP 10.5691
183 3GDH SAH 10.5932
184 1XTT U5P 10.6481
185 5MW4 5JU 11.0169
186 3NRZ FAD 11.0169
187 1V97 FAD 11.0169
188 4IV9 FAD 11.0169
189 3ELW SAM 11.0169
190 3ELW GP3 11.0169
191 2P3C 3TL 11.1111
192 2P3B 3TL 11.1111
193 6CDZ UMP 11.4407
194 5DOZ NDP 11.4407
195 1R18 SAH 11.4537
196 1FFU FAD 11.6564
197 1JG0 UMP 11.8644
198 2A9W UMP 11.8644
199 4ISK UMP 11.8644
200 1WY7 SAH 12.0773
201 1F0X FAD 12.2881
202 1LVL FAD 12.2881
203 2CXG GLC GLC 12.7119
204 3OZG SSI 13.1356
205 5LXT ACP 13.1356
206 3HRD FAD 13.9831
207 5K0A FAD 13.9831
208 3WEC AUI 13.9831
209 4M37 SAH 13.9831
210 1QHO MAL 13.9831
211 2F5Z FAD 14.0625
212 3GD8 GOL 15.2466
213 3MBI HSX 16.1017
214 1P4A PCP 16.1017
215 1UPF URF 16.5179
216 1N62 FAD 17.4699
217 1DQN IMU 21.3043
218 5DH3 5BS 21.6102
219 1O5O U5P 21.7195
220 5EYK 5U5 22.0339
221 1T3Q FAD 23.8095
222 1T3Q MCN 23.8095
223 1XF1 CIT 25
224 2GAG NAD 25.2525
225 3ACC 5GP 34.2541
226 5YW5 ADE 41.8994
227 1L1Q 9DA 44.086
228 5VJN ADE 49.7326
229 5VJN IR8 49.7326
Pocket No.: 2; Query (leader) PDB : 1QB7; Ligand: ADE; 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: 1qb7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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