-->
Receptor
PDB id Resolution Class Description Source Keywords
2AJH 2.4 Å EC: 6.1.1.4 CRYSTAL STRUCTURE OF THE EDITING DOMAIN OF E. COLI LEUCYL-TR SYNTHETASE COMPLEXES WITH METHIONINE ESCHERICHIA COLI EDITING DOMAIN LEUCYL-TRNA SYNTHETASE LIGASE
Ref.: CRYSTAL STRUCTURES OF THE EDITING DOMAIN OF ESCHERI LEUCYL-TRNA SYNTHETASE AND ITS COMPLEXES WITH MET A REVEAL A LOCK-AND-KEY MECHANISM FOR AMINO ACID DISCRIMINATION BIOCHEM.J. V. 394 399 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:501;
B:601;
Valid;
Valid;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AJH 2.4 Å EC: 6.1.1.4 CRYSTAL STRUCTURE OF THE EDITING DOMAIN OF E. COLI LEUCYL-TR SYNTHETASE COMPLEXES WITH METHIONINE ESCHERICHIA COLI EDITING DOMAIN LEUCYL-TRNA SYNTHETASE LIGASE
Ref.: CRYSTAL STRUCTURES OF THE EDITING DOMAIN OF ESCHERI LEUCYL-TRNA SYNTHETASE AND ITS COMPLEXES WITH MET A REVEAL A LOCK-AND-KEY MECHANISM FOR AMINO ACID DISCRIMINATION BIOCHEM.J. V. 394 399 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AJH; Ligand: MET; Similar sites found with APoc: 213
This union binding pocket(no: 1) in the query (biounit: 2ajh.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL GLC NBU None
3 1ZEI CRS None
4 1C4Q GLA GAL BGC None
5 6ECT SAM 1.53061
6 3BNK FMN 1.53061
7 3D36 ADP 2.04082
8 5B0W 22B 2.04082
9 1TPY SAH 2.55102
10 1MXH NAP 2.55102
11 1MXH DHF 2.55102
12 6C4M NAP 2.55102
13 2Q16 ITT 2.55102
14 4ZCC FAD 2.55102
15 2G5C NAD 2.55102
16 5ZYN SIN 2.55102
17 3CRZ NAP 2.55102
18 3CRZ FAD 2.55102
19 3WDM ADN 2.55102
20 3GGO NAI 2.55102
21 2ED4 FAD 2.68456
22 5IDM ANP 2.7933
23 4RL4 PPV 3.06122
24 5BJX NAD 3.06122
25 1EWY FAD 3.06122
26 3D9F N6C 3.06122
27 4P8K 38C 3.06122
28 4P8K FAD 3.06122
29 4GCZ ADP 3.06122
30 2C0U FAD NBT 3.06122
31 2DT5 NAD 3.06122
32 5GWT NAD 3.06122
33 3COW 52H 3.06122
34 5GWT SIN 3.06122
35 2P2V CSF 3.06122
36 5BO9 SIA GAL NGS 3.06122
37 3WLE NAD 3.06122
38 4KVX ACO 3.20513
39 4CUB GAL NAG 3.27869
40 3WQD PLP 999 3.33333
41 5AHW CMP 3.40136
42 5GXU FAD 3.57143
43 4UBT 3G6 3.57143
44 4JJF FE9 3.57143
45 4JJF N2I 3.57143
46 3QFS FAD 3.57143
47 5BW4 SAM 3.57143
48 3MHP FAD 3.57143
49 5ERG SAM 3.57143
50 3NUG NAD 3.57143
51 1YQD NAP 3.57143
52 1XTT U5P 3.57143
53 2ZKJ ADP 3.57143
54 2Q8Z NUP 3.57143
55 1SB8 NAD 4.08163
56 2WSB NAD 4.08163
57 1TI7 NAP 4.08163
58 3GDH SAH 4.08163
59 5KOK SAH 4.08163
60 1GR0 NAD 4.08163
61 1DL5 SAH 4.08163
62 3UYK 0CX 4.08163
63 3LVW GSH 4.08163
64 2VUT NAD 4.08163
65 1D1T NAD 4.08163
66 2GZ3 NAP 4.08163
67 5EYG NAP 4.08163
68 5ZJ5 NAI 4.32099
69 6APL C5P 4.59184
70 4UIB GWX 4.59184
71 5VC5 96M 4.59184
72 4IV9 FAD 4.59184
73 1Q0S SAH 4.59184
74 1VA6 P2S 4.59184
75 1VA6 ADP 4.59184
76 1G0N NDP 4.59184
77 3EVF SAH 4.59184
78 6APV 3L4 4.59184
79 4H8N NDP 4.59184
80 5JCA FAD 4.59184
81 3MB5 SAM 4.59184
82 1L3I SAH 4.6875
83 4R2M ANP 5.06329
84 2WFG ZZB 5.10204
85 4M73 SAH 5.10204
86 4M73 M72 5.10204
87 4UXH T5A 5.10204
88 5AHM IMP 5.10204
89 4COL DTP 5.10204
90 3L2B B4P 5.10204
91 1QAN SAH 5.10204
92 2CXS F6P 5.10204
93 4KIB SAH 5.10204
94 4KRI SAH 5.10204
95 1X7D NAD 5.10204
96 4YRY FAD 5.10204
97 3OID NDP 5.42636
98 5YZ2 AMP 5.55556
99 2BZG SAH 5.61225
100 4WQM FAD 5.61225
101 1KPG SAH 5.61225
102 1KPH SAH 5.61225
103 2Q1W NAD 5.61225
104 5XWV NDP 5.61225
105 5ECP JAA 5.61225
106 5ECP ATP 5.61225
107 5ECP MET 5.61225
108 4X7R UDP 5.61225
109 5X40 ACP 5.61225
110 4AMV F6R 5.61225
111 2OYS FMN 5.61225
112 1HDC CBO 5.61225
113 3V1Y NAD 5.61225
114 2O2C G6Q 5.61225
115 4X7R 3YW 5.61225
116 3BGD SAH 6.12245
117 4NMC FAD 6.12245
118 2C6Q IMP 6.12245
119 4NMC 2OP 6.12245
120 1WVG CXY 6.12245
121 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 6.12245
122 2C6Q NDP 6.12245
123 2FR1 NDP 6.12245
124 2GJ8 ALF GDP 6.12245
125 4IXH IMP 6.12245
126 2HY0 306 6.12245
127 1DDG FAD 6.12245
128 1QMG APX 6.12245
129 1W4R TTP 6.15385
130 3GPO APR 6.54762
131 3KPB SAM 6.55738
132 3LCC SAH 6.63265
133 3H4V NAP 6.63265
134 5UFN SAH 6.63265
135 3H4V DVP 6.63265
136 2FK8 SAM 6.63265
137 1OAA OAA 6.63265
138 3JQ8 NAP 6.63265
139 3JQB NAP 6.63265
140 3BMN NAP 6.63265
141 4YAG NAI 6.63265
142 4S3F 43W 6.63265
143 1C3Q TZE 6.63265
144 3WXL ADP 7.14286
145 1B63 ANP 7.14286
146 1M2W NAD 7.14286
147 4A1O JLN 7.14286
148 5QB1 F1C 7.14286
149 2GLX NDP 7.53012
150 5CGE 51F 7.65306
151 3HAZ FAD 7.65306
152 3HB5 NAP 7.65306
153 3UIE ADX 7.65306
154 2ZJ3 G6P 7.65306
155 7CPA FVF 7.65306
156 5H5J FAD 8.16327
157 5KF6 FAD 8.16327
158 5KF6 TFB 8.16327
159 2PCU PHE ASN ARG PRO VAL 8.16327
160 3P48 DUP 8.16327
161 4C8E C5P 8.24176
162 4DQL NAP 8.67347
163 5EJL C2E 8.67347
164 2VNI A2P 8.67347
165 2VNI FAD 8.67347
166 6CZ7 MGD 9.18367
167 3UBM COA 9.18367
168 1KOJ PAN 9.18367
169 2PWY SAH 9.68992
170 1TED MYR 9.69388
171 4V1T ADP 9.69388
172 4A8H PUW 9.69388
173 2X3F APC 9.69388
174 1GKZ ADP 9.69388
175 1VBO MAN MAN MAN 10.0671
176 4S1B 2BA 10.2041
177 2AMT 1AA 10.6918
178 5AHO TLA 10.7143
179 1KRH FAD 10.7143
180 2GVC FAD 11.2245
181 2GV8 FAD 11.2245
182 3FJO FAD 11.2245
183 4YT4 FE9 11.2245
184 1Z4O GL1 11.7347
185 5Z49 RUB 11.7347
186 4X1Z FUC GAL NDG 12.2449
187 4A6F SEP 12.5
188 3THR C2F 12.7551
189 4EN4 ATP 12.7551
190 4EN4 GT0 12.7551
191 4EN4 GT1 12.7551
192 1L1E SAH 13.2653
193 4O8A FAD 13.7755
194 1TIW TFB 13.7755
195 1TIW FAD 13.7755
196 4KOA NDP 14.2857
197 1OTH PAO 15.3061
198 6AMI TRP 15.3061
199 5G1N PAL 15.3061
200 5A1T OXM 16.3265
201 5A1T NAI 16.3265
202 1U3U BNF 16.3265
203 1U3U NAD 16.3265
204 4Q86 AMP 17.3469
205 2V77 PAY 17.3469
206 3LU1 NAD 17.8571
207 3T6E MQ9 18.3673
208 3NZW BOC TY5 ALA RE0 ABN 19.898
209 1WK9 TSB 21.2329
210 3TDH AMP 21.9388
211 1LSS NAD 25.7143
212 1WK8 VMS 34.0206
213 4M1U MBG A2G 40
Pocket No.: 2; Query (leader) PDB : 2AJH; Ligand: MET; Similar sites found with APoc: 146
This union binding pocket(no: 2) in the query (biounit: 2ajh.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1R18 SAH None
2 3U2U UDP None
3 4GQY AMP None
4 1JG3 ADN 1.53061
5 2FXV 5GP 1.54639
6 4CL6 7SB 1.75439
7 6F97 FAD 2.04082
8 1RLZ NAD 2.04082
9 4ZCC NAI 2.55102
10 2E5V FAD 2.55102
11 4POO SAM 2.55102
12 3GGO ENO 2.55102
13 5NUF NAD 2.55102
14 1JQ3 AAT 2.55102
15 4PNE SAH 2.55102
16 4Y30 SAH 2.55102
17 5ESO ISC 2.55102
18 5ESO TDP 2.55102
19 1E6E FAD 2.6087
20 1IM8 SAI 3.06122
21 3VC1 GST 3.06122
22 3VC1 SAH 3.06122
23 2B4R NAD 3.06122
24 2B4R AES 3.06122
25 1NZY BCA 3.06122
26 3BAZ NAP 3.06122
27 5NMX FAD 3.06122
28 3V1U NAD 3.06122
29 2X61 NGA GAL SIA 3.06122
30 5N5D SAM 3.09735
31 6G96 ACO 3.40909
32 1QZR ANP 3.57143
33 1HXD BTN 3.57143
34 3CIF G3H 3.57143
35 2V6K TGG 3.57143
36 6DEF GCP 3.57143
37 5WNL STU 3.57143
38 3CIF NAD 3.57143
39 2O4C NAD 3.57143
40 2CNT COA 3.75
41 1SB8 UD2 4.08163
42 1NML CIT 4.08163
43 3GRU AMP 4.08163
44 3PPM JG1 4.08163
45 1ZXM ANP 4.08163
46 1EU1 MGD 4.08163
47 4M52 FAD 4.08163
48 3NY4 SMX 4.08163
49 4UME KDO 4.14508
50 6CDG PRO GLY LEU TRP LYS SER 4.19162
51 2CJF RP4 4.4586
52 4MO2 FDA 4.59184
53 1G0N PHH 4.59184
54 4MO2 FAD 4.59184
55 4JYD SAH 4.59184
56 1KQ4 FAD 4.59184
57 5EWK P34 4.59184
58 4XJ2 FMN 4.78723
59 3K87 FAD 4.86486
60 3VHH VHH 4.87805
61 2POC BG6 5.10204
62 1DSS NAD 5.10204
63 1Z45 NAD 5.10204
64 2YYY NAP 5.10204
65 4Z87 GDP 5.14286
66 2XVF FAD 5.61225
67 5XWV 8H6 5.61225
68 2VVM FAD 5.61225
69 2VVL FAD 5.61225
70 5DH3 5BS 5.61225
71 5WQP NCA 5.61225
72 2RIF AMP 5.67376
73 3MQG ACO 5.72917
74 1TD2 PXL 5.92335
75 2XNJ FAD 6.12245
76 3TKI S25 6.12245
77 1J0D 5PA 6.12245
78 5ZZ6 NAD 6.12245
79 5ZZ6 ADP 6.12245
80 4GLL NAD 6.12245
81 2H8H H8H 6.12245
82 1BO4 COA 6.12245
83 2RHQ GAX 6.63265
84 2VZ0 D64 6.63265
85 2VZ0 NAP 6.63265
86 5JCJ NAP 6.63265
87 3JQA NAP 6.63265
88 5K6A NAP 6.63265
89 4CME NAP 6.63265
90 5JDC NAP 6.63265
91 1H0H MGD 6.63265
92 3BMO NAP 6.63265
93 2WD7 NAP 6.63265
94 3JQF NAP 6.63265
95 5JDI NAP 6.63265
96 3BMQ NAP 6.63265
97 3JQ7 NAP 6.63265
98 4CM8 NAP 6.63265
99 4CMI NAP 6.63265
100 3JQ9 NAP 6.63265
101 4CM9 NAP 6.63265
102 3JQG NAP 6.63265
103 4CM4 NAP 6.63265
104 4CLR NAP 6.63265
105 4D9M 0JO 7.14286
106 1SM4 FAD 7.14286
107 6FDF SAH 7.14286
108 5LOG SAH 7.14286
109 2ZPA ACO 7.14286
110 2IVF MD1 7.47664
111 1O94 ADP 7.65306
112 3VYW SAM 7.65306
113 4GA6 AMP 8.16327
114 2VYN NAD 8.16327
115 1N9G NAP 8.16327
116 3ZOD FMN 8.37696
117 3ZOD HQE 8.37696
118 4DQL FAD 8.67347
119 4U9U FAD 8.67347
120 4P4T GDP 8.67347
121 5GM1 SAH 8.67347
122 1I0S NAP 8.87574
123 1I0S FMN 8.87574
124 4O9S 2RY 9.18367
125 2V92 ATP 9.1954
126 2XD9 XD9 9.58084
127 1XVB 3BR 9.69388
128 2R5N R5P 9.69388
129 2R5N RP5 9.69388
130 2R5N TPP 9.69388
131 5WP5 SAH 10.2041
132 3T3C 017 11.1111
133 1VQW FAD 11.2245
134 5COU ATP 11.7347
135 1FFU CDP 11.7347
136 1J0X NAD 12.7551
137 5G3L SIA 13.1313
138 4RQU NAD 13.2653
139 3D2Y AH0 ALA FGA LYS 13.7755
140 3KH5 ADP 15.8163
141 3KH5 AMP 15.8163
142 2HNK SAH 16.318
143 1TX4 ALF GDP 16.9492
144 5UY8 AMZ 17.3469
145 1CDO NAD 19.3878
146 5EIN NAP 20.3704
APoc FAQ
Feedback