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 312 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 261 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 214 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 (2D)
Ligand no: 1; Ligand: 6MZ; Similar ligands found: 212
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 G 6MZ C 0.62963 0.915493
10 IMO 0.623377 0.915493
11 NO7 0.597701 0.893333
12 ABM 0.582278 0.957747
13 45A 0.582278 0.957747
14 6MA 0.580247 0.90411
15 PGS 0.547619 0.846154
16 M33 0.547619 0.944444
17 TT8 0.544444 0.75641
18 A2D 0.54321 0.90411
19 ADP 0.542169 0.930556
20 AMP MG 0.5375 0.915493
21 PRX 0.534884 0.905405
22 71V 0.53012 0.87013
23 AP2 0.53012 0.893333
24 A12 0.53012 0.893333
25 BA3 0.53012 0.90411
26 ITT 0.529412 0.902778
27 AU1 0.529412 0.905405
28 B4P 0.52381 0.90411
29 AP5 0.52381 0.90411
30 HEJ 0.523256 0.930556
31 ATP 0.523256 0.930556
32 AIR 0.52 0.887324
33 SRA 0.518519 0.905405
34 AN2 0.517647 0.917808
35 AT4 0.517647 0.893333
36 AQP 0.517241 0.930556
37 5FA 0.517241 0.930556
38 APC 0.517241 0.893333
39 25A 0.516129 0.930556
40 CA0 0.511628 0.88
41 ADX 0.511628 0.814815
42 RMB 0.506024 0.913043
43 KG4 0.505747 0.88
44 50T 0.505747 0.917808
45 ACP 0.505747 0.905405
46 QA7 0.505376 0.881579
47 N6P 0.505263 0.928571
48 K2R 0.505155 0.866667
49 T99 0.5 0.893333
50 ACQ 0.5 0.905405
51 APR 0.5 0.90411
52 ADP BEF 0.5 0.902778
53 TAT 0.5 0.893333
54 ANP 0.5 0.905405
55 ADP MG 0.5 0.902778
56 AR6 0.5 0.90411
57 G G 6MZ C 0.495413 0.8375
58 8LE 0.494505 0.881579
59 5AL 0.494505 0.917808
60 V2G 0.494505 0.858974
61 ADV 0.494382 0.868421
62 AD9 0.494382 0.905405
63 AGS 0.494382 0.881579
64 RBY 0.494382 0.868421
65 7RP 0.493976 0.942029
66 8LQ 0.489362 0.893333
67 ANP MG 0.48913 0.891892
68 AAM 0.488095 0.957143
69 C2R 0.4875 0.84
70 AMZ 0.4875 0.851351
71 9ZA 0.484211 0.92
72 5SV 0.484211 0.858974
73 9ZD 0.484211 0.92
74 6YZ 0.483871 0.905405
75 8LH 0.483871 0.893333
76 RBZ 0.481928 0.887324
77 4AD 0.479167 0.857143
78 HQG 0.478723 0.917808
79 ATP MG 0.477778 0.902778
80 APC MG 0.477778 0.878378
81 ADP PO3 0.477778 0.902778
82 NIA 0.47561 0.7875
83 PTJ 0.474747 0.883117
84 AHX 0.474227 0.835443
85 JNT 0.474227 0.88
86 ARU 0.474227 0.848101
87 MAP 0.473684 0.881579
88 A22 0.473684 0.917808
89 ATF 0.473118 0.893333
90 BEF ADP 0.472527 0.878378
91 5AS 0.471264 0.767442
92 P2P 0.470588 0.915493
93 JLN 0.470588 0.851351
94 FAI 0.470588 0.851351
95 7RA 0.470588 0.943662
96 LMS 0.46988 0.792683
97 1RB 0.46988 0.898551
98 8QN 0.46875 0.917808
99 SRP 0.468085 0.868421
100 GAP 0.467391 0.855263
101 SON 0.465909 0.893333
102 AMO 0.463918 0.868421
103 PAJ 0.463918 0.848101
104 ADQ 0.463918 0.88
105 TXA 0.46 0.893333
106 1ZZ 0.46 0.82716
107 NB8 0.46 0.835443
108 PMO 0.45977 0.914286
109 00A 0.459184 0.846154
110 DLL 0.459184 0.891892
111 DAL AMP 0.458333 0.891892
112 VO4 ADP 0.457447 0.905405
113 ALF ADP 0.457447 0.833333
114 OAD 0.454545 0.905405
115 9X8 0.454545 0.881579
116 OOB 0.453608 0.891892
117 OZV 0.453608 0.90411
118 WAQ 0.45 0.846154
119 93A 0.449438 0.795181
120 A3R 0.44898 0.846154
121 A1R 0.44898 0.846154
122 KMQ 0.446602 0.893333
123 3DH 0.445783 0.783784
124 3OD 0.445545 0.905405
125 FYA 0.445545 0.891892
126 ME8 0.445545 0.85
127 5GP 0.444444 0.868421
128 G 0.444444 0.868421
129 YLP 0.444444 0.807229
130 A2P 0.443182 0.915493
131 A3P 0.443182 0.929577
132 XAH 0.442308 0.804878
133 25L 0.441176 0.917808
134 MYR AMP 0.441176 0.804878
135 ADP BMA 0.44 0.855263
136 3UK 0.44 0.88
137 IMP 0.438202 0.891892
138 PR8 0.435644 0.814815
139 LAD 0.435644 0.825
140 B5V 0.435644 0.868421
141 7D5 0.433735 0.864865
142 G7M 0.433333 0.883117
143 B5Y 0.432692 0.881579
144 B5M 0.432692 0.881579
145 YLC 0.432432 0.82716
146 YLB 0.432432 0.807229
147 6AD 0.431579 0.896104
148 BIS 0.431373 0.87013
149 MTP 0.43038 0.763158
150 7MD 0.429907 0.804878
151 XYA 0.428571 0.805556
152 RAB 0.428571 0.805556
153 ADN 0.428571 0.805556
154 TSB 0.428571 0.785714
155 OK8 0.427083 0.818182
156 A5A 0.427083 0.795181
157 GTA 0.425926 0.873418
158 HFD 0.425532 0.881579
159 JSQ 0.425532 0.881579
160 O02 0.425532 0.858974
161 AOC 0.425287 0.808219
162 26A 0.425 0.797297
163 9SN 0.423077 0.835443
164 V3L 0.421053 0.930556
165 NSS 0.42 0.747126
166 7MC 0.419643 0.807229
167 FA5 0.419048 0.868421
168 ATP A 0.419048 0.890411
169 RGT 0.419048 0.893333
170 ATP A A A 0.419048 0.890411
171 6MZ C U 0.418605 0.8375
172 52H 0.418367 0.767442
173 VMS 0.418367 0.776471
174 54H 0.418367 0.776471
175 GUO 0.418367 0.828947
176 48N 0.418182 0.858974
177 JB6 0.417476 0.846154
178 AYB 0.417391 0.797619
179 GA7 0.416667 0.893333
180 ARG AMP 0.416667 0.795181
181 NVA LMS 0.415842 0.741573
182 8BR 0.41573 0.893333
183 53H 0.414141 0.767442
184 4UV 0.411215 0.857143
185 AMP DBH 0.411215 0.855263
186 OMR 0.410714 0.817073
187 TXE 0.410714 0.846154
188 G5A 0.410526 0.747126
189 IRN 0.410256 0.855072
190 RVP 0.409639 0.810811
191 SSA 0.408163 0.747126
192 G3A 0.407407 0.858974
193 UPA 0.40708 0.846154
194 L3W 0.40708 0.868421
195 AP0 0.40708 0.858974
196 DSZ 0.405941 0.747126
197 LSS 0.405941 0.75
198 MTA 0.404762 0.808219
199 1PR 0.403846 0.7875
200 AFH 0.40367 0.825
201 G5P 0.40367 0.858974
202 4UU 0.40367 0.857143
203 7DD 0.402174 0.916667
204 4UW 0.401786 0.871795
205 6V0 0.401786 0.835443
206 NAI 0.401786 0.846154
207 TXD 0.401786 0.846154
208 UP5 0.401786 0.857143
209 TAD 0.4 0.825
210 5CA 0.4 0.747126
211 5N5 0.4 0.780822
212 DQV 0.4 0.891892
Similar Ligands (3D)
Ligand no: 1; Ligand: 6MZ; Similar ligands found: 48
No: Ligand Similarity coefficient
1 XMP 0.9579
2 MZP 0.9524
3 8OP 0.9417
4 DA 0.9405
5 FMP 0.9402
6 D5M 0.9371
7 6OG 0.9349
8 DGP 0.9292
9 DG 0.9276
10 C 0.9275
11 IMU 0.9260
12 N5O 0.9170
13 ZAS 0.9163
14 8GM 0.9162
15 C5P 0.9145
16 8OG 0.9137
17 IRP 0.9135
18 PFU 0.9122
19 EO7 0.9113
20 S5P 0.9111
21 FNU 0.9094
22 NEC 0.9093
23 AS 0.9083
24 NUP 0.9082
25 6CG 0.9076
26 6RE 0.9057
27 DI 0.9029
28 DCM 0.9015
29 NWQ 0.8991
30 A3N 0.8989
31 J7C 0.8984
32 PSU 0.8971
33 16B 0.8964
34 U6M 0.8954
35 6CN 0.8940
36 NMN 0.8935
37 9L3 0.8919
38 NCN 0.8906
39 A4D 0.8819
40 MTE 0.8754
41 KB7 0.8743
42 FN5 0.8720
43 CH 0.8693
44 MCF 0.8685
45 DBM 0.8622
46 DC 0.8611
47 JW5 0.8581
48 OMP 0.8527
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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