Receptor
PDB id Resolution Class Description Source Keywords
6IJN 1.66 Å EC: 3.-.-.- THE D295N MUTANT OF THE N6-METHYL-AMP DEAMINASE FROM ARABIDO THALIANA COMPLEXED WITH N6M-AMP ARABIDOPSIS THALIANA PURINE METABOLISM DEAMINASE N6-METHYLADENSOSINE TIM-BARREINOSINE EPIGENETICS HYDROLASE
Ref.: ALTERNATIVE CONFORMATION INDUCED BY SUBSTRATE BINDI ARABIDOPSIS THALIANAN6-METHYL-AMP DEAMINASE. NUCLEIC ACIDS RES. V. 47 3233 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6MZ A:401;
Valid;
none;
submit data
361.248 C11 H16 N5 O7 P CNc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6IJN 1.66 Å EC: 3.-.-.- THE D295N MUTANT OF THE N6-METHYL-AMP DEAMINASE FROM ARABIDO THALIANA COMPLEXED WITH N6M-AMP ARABIDOPSIS THALIANA PURINE METABOLISM DEAMINASE N6-METHYLADENSOSINE TIM-BARREINOSINE EPIGENETICS HYDROLASE
Ref.: ALTERNATIVE CONFORMATION INDUCED BY SUBSTRATE BINDI ARABIDOPSIS THALIANAN6-METHYL-AMP DEAMINASE. NUCLEIC ACIDS RES. V. 47 3233 2019
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 6J4T - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 6IJN - 6MZ C11 H16 N5 O7 P CNc1c2c(nc....
3 6IJP - IMP C10 H13 N4 O8 P c1nc2c(n1[....
4 6J23 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 6J4T - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 6IJN - 6MZ C11 H16 N5 O7 P CNc1c2c(nc....
3 6IJP - IMP C10 H13 N4 O8 P c1nc2c(n1[....
4 6J23 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 families.
1 6J4T - IMP C10 H13 N4 O8 P c1nc2c(n1[....
2 6IJN - 6MZ C11 H16 N5 O7 P CNc1c2c(nc....
3 6IJP - IMP C10 H13 N4 O8 P c1nc2c(n1[....
4 6J23 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6MZ; Similar ligands found: 203
No: Ligand ECFP6 Tc MDL keys Tc
1 6MZ 1 1
2 6IA 0.730769 0.871795
3 6MD 0.727273 0.84507
4 6C6 0.696203 0.893333
5 2SA 0.670732 0.893333
6 A 0.648649 0.957143
7 AMP 0.648649 0.957143
8 6K6 0.639535 0.943662
9 IMO 0.623377 0.915493
10 NO7 0.597701 0.893333
11 ABM 0.582278 0.957747
12 45A 0.582278 0.957747
13 PGS 0.547619 0.846154
14 M33 0.547619 0.944444
15 TT8 0.544444 0.75641
16 A2D 0.54321 0.90411
17 ADP 0.542169 0.930556
18 PRX 0.534884 0.905405
19 71V 0.53012 0.87013
20 A12 0.53012 0.893333
21 AP2 0.53012 0.893333
22 BA3 0.53012 0.90411
23 AU1 0.529412 0.905405
24 ITT 0.529412 0.902778
25 AP5 0.52381 0.90411
26 B4P 0.52381 0.90411
27 HEJ 0.523256 0.930556
28 ATP 0.523256 0.930556
29 AIR 0.52 0.887324
30 SRA 0.518519 0.905405
31 AN2 0.517647 0.917808
32 AT4 0.517647 0.893333
33 APC 0.517241 0.893333
34 5FA 0.517241 0.930556
35 AQP 0.517241 0.930556
36 25A 0.516129 0.930556
37 ADX 0.511628 0.814815
38 CA0 0.511628 0.88
39 RMB 0.506024 0.913043
40 ACP 0.505747 0.905405
41 50T 0.505747 0.917808
42 KG4 0.505747 0.88
43 N6P 0.505263 0.928571
44 ANP 0.5 0.905405
45 ADP MG 0.5 0.902778
46 T99 0.5 0.893333
47 AR6 0.5 0.90411
48 TAT 0.5 0.893333
49 APR 0.5 0.90411
50 ACQ 0.5 0.905405
51 8LE 0.494505 0.881579
52 5AL 0.494505 0.917808
53 AGS 0.494382 0.881579
54 ADV 0.494382 0.868421
55 AD9 0.494382 0.905405
56 RBY 0.494382 0.868421
57 SAP 0.494382 0.881579
58 7RP 0.493976 0.942029
59 8LQ 0.489362 0.893333
60 AAM 0.488095 0.957143
61 C2R 0.4875 0.84
62 AMZ 0.4875 0.851351
63 9ZD 0.484211 0.92
64 9ZA 0.484211 0.92
65 5SV 0.484211 0.858974
66 8LH 0.483871 0.893333
67 6YZ 0.483871 0.905405
68 RBZ 0.481928 0.887324
69 4AD 0.479167 0.857143
70 HQG 0.478723 0.917808
71 ADP PO3 0.477778 0.902778
72 ATP MG 0.477778 0.902778
73 APC MG 0.477778 0.878378
74 NIA 0.47561 0.7875
75 PTJ 0.474747 0.883117
76 AHX 0.474227 0.835443
77 ARU 0.474227 0.848101
78 A22 0.473684 0.917808
79 MAP 0.473684 0.881579
80 ATF 0.473118 0.893333
81 5AS 0.471264 0.767442
82 JLN 0.470588 0.851351
83 7RA 0.470588 0.943662
84 P2P 0.470588 0.915493
85 FAI 0.470588 0.851351
86 1RB 0.46988 0.898551
87 LMS 0.46988 0.792683
88 8QN 0.46875 0.917808
89 SRP 0.468085 0.868421
90 GAP 0.467391 0.855263
91 SON 0.465909 0.893333
92 AMO 0.463918 0.868421
93 ADQ 0.463918 0.88
94 PAJ 0.463918 0.848101
95 1ZZ 0.46 0.82716
96 TXA 0.46 0.893333
97 NB8 0.46 0.835443
98 PMO 0.45977 0.914286
99 DLL 0.459184 0.891892
100 00A 0.459184 0.846154
101 DAL AMP 0.458333 0.891892
102 ALF ADP 0.457447 0.833333
103 ADP ALF 0.457447 0.833333
104 OAD 0.454545 0.905405
105 9X8 0.454545 0.881579
106 OZV 0.453608 0.90411
107 OOB 0.453608 0.891892
108 VO4 ADP 0.452632 0.891892
109 ADP VO4 0.452632 0.891892
110 WAQ 0.45 0.846154
111 93A 0.449438 0.795181
112 A3R 0.44898 0.846154
113 A1R 0.44898 0.846154
114 3DH 0.445783 0.783784
115 FYA 0.445545 0.891892
116 ME8 0.445545 0.85
117 3OD 0.445545 0.905405
118 G 0.444444 0.868421
119 YLP 0.444444 0.807229
120 5GP 0.444444 0.868421
121 A3P 0.443182 0.929577
122 A2P 0.443182 0.915493
123 XAH 0.442308 0.804878
124 25L 0.441176 0.917808
125 MYR AMP 0.441176 0.804878
126 ADP BMA 0.44 0.855263
127 3UK 0.44 0.88
128 IMP 0.438202 0.891892
129 PR8 0.435644 0.814815
130 A A 0.435644 0.930556
131 LAD 0.435644 0.825
132 B5V 0.435644 0.868421
133 7D5 0.433735 0.864865
134 G7M 0.433333 0.883117
135 B5Y 0.432692 0.881579
136 B5M 0.432692 0.881579
137 YLC 0.432432 0.82716
138 YLB 0.432432 0.807229
139 6AD 0.431579 0.896104
140 BIS 0.431373 0.87013
141 MTP 0.43038 0.763158
142 7MD 0.429907 0.804878
143 XYA 0.428571 0.805556
144 ADN 0.428571 0.805556
145 RAB 0.428571 0.805556
146 TSB 0.428571 0.785714
147 A5A 0.427083 0.795181
148 GTA 0.425926 0.873418
149 JSQ 0.425532 0.881579
150 HFD 0.425532 0.881579
151 AOC 0.425287 0.808219
152 26A 0.425 0.797297
153 9SN 0.423077 0.835443
154 V3L 0.421053 0.930556
155 NSS 0.42 0.747126
156 7MC 0.419643 0.807229
157 ATP A A A 0.419048 0.890411
158 ATP A 0.419048 0.890411
159 YAP 0.419048 0.857143
160 RGT 0.419048 0.893333
161 FA5 0.419048 0.868421
162 54H 0.418367 0.776471
163 GUO 0.418367 0.828947
164 52H 0.418367 0.767442
165 VMS 0.418367 0.776471
166 48N 0.418182 0.858974
167 JB6 0.417476 0.846154
168 AYB 0.417391 0.797619
169 GA7 0.416667 0.893333
170 ARG AMP 0.416667 0.795181
171 NVA LMS 0.415842 0.741573
172 8BR 0.41573 0.893333
173 53H 0.414141 0.767442
174 LEU LMS 0.411765 0.741573
175 AMP DBH 0.411215 0.855263
176 4UV 0.411215 0.857143
177 TYR AMP 0.411215 0.833333
178 TXE 0.410714 0.846154
179 OMR 0.410714 0.817073
180 G5A 0.410526 0.747126
181 IRN 0.410256 0.855072
182 RVP 0.409639 0.810811
183 SSA 0.408163 0.747126
184 G3A 0.407407 0.858974
185 UPA 0.40708 0.846154
186 AP0 0.40708 0.858974
187 LSS 0.405941 0.75
188 DSZ 0.405941 0.747126
189 MTA 0.404762 0.808219
190 1PR 0.403846 0.7875
191 AFH 0.40367 0.825
192 4UU 0.40367 0.857143
193 G5P 0.40367 0.858974
194 7DD 0.402174 0.916667
195 4UW 0.401786 0.871795
196 6V0 0.401786 0.835443
197 TXD 0.401786 0.846154
198 UP5 0.401786 0.857143
199 NAI 0.401786 0.846154
200 5N5 0.4 0.780822
201 5CA 0.4 0.747126
202 DQV 0.4 0.891892
203 TAD 0.4 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6IJN; Ligand: 6MZ; 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: 6ijn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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