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Receptor
PDB id Resolution Class Description Source Keywords
2X1L 2.3 Å EC: 6.1.1.10 CRYSTAL STRUCTURE OF MYCOBACTERIUM SMEGMATIS METHIONYL-TRNA IN COMPLEX WITH METHIONINE AND ADENOSINE MYCOBACTERIUM SMEGMATIS NUCLEOTIDE-BINDING PROTEIN BIOSYNTHESIS LIGASE AMINOACYL-SYNTHETASE
Ref.: FLEXIBILITY AND COMMUNICATION WITHIN THE STRUCTURE MYCOBACTERIUM SMEGMATIS METHIONYL-TRNA SYNTHETASE. FEBS J. V. 277 3947 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2HP A:603;
B:603;
C:603;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.987 H2 O4 P OP(=O...
ADN A:601;
B:601;
C:601;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
CXS A:602;
B:602;
C:602;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.317 C9 H19 N O3 S C1CCC...
MET A:600;
B:600;
C:600;
Valid;
Valid;
Valid;
none;
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
2X1L 2.3 Å EC: 6.1.1.10 CRYSTAL STRUCTURE OF MYCOBACTERIUM SMEGMATIS METHIONYL-TRNA IN COMPLEX WITH METHIONINE AND ADENOSINE MYCOBACTERIUM SMEGMATIS NUCLEOTIDE-BINDING PROTEIN BIOSYNTHESIS LIGASE AMINOACYL-SYNTHETASE
Ref.: FLEXIBILITY AND COMMUNICATION WITHIN THE STRUCTURE MYCOBACTERIUM SMEGMATIS METHIONYL-TRNA SYNTHETASE. FEBS J. V. 277 3947 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2X1L - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2X1L - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 5K0S ic50 = 0.006 uM 0OU C19 H19 Cl2 N3 O c1ccc2c(c1....
3 4PY2 ic50 = 0.272 uM 43E C15 H17 Cl2 N3 O S c1cscc1NC(....
4 5XET - ME8 C15 H23 N6 O8 P S CSCC[C@@H]....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X1L - ADN C10 H13 N5 O4 c1nc(c2c(n....
2 4ZT4 - 4RO C16 H15 Cl2 F2 N5 c1cc2c(nc1....
3 4MW1 - 44F C16 H20 Cl N3 O2 S COc1cc(cc(....
4 4MWE - 2EN C21 H26 Cl N3 O2 S C=CCc1cc(c....
5 4ZT5 - 4RN C17 H19 Cl2 N5 C[C@@H](CN....
6 4ZT7 - 4RC C18 H19 Cl2 F N6 c1cc(nc2c1....
7 4MVY - 387 C17 H19 Cl2 N3 O2 c1cc(cc(c1....
8 5J59 ic50 < 50 nM N93 C16 H16 Cl3 N5 CN(CCNCc1c....
9 4MWB - 2EK C13 H15 Cl2 N3 O S2 c1cscc1NC(....
10 5V49 ic50 < 50 nM 8WA C18 H19 Cl3 N6 CN(CCN[C@@....
11 4MW0 - 392 C17 H19 Cl2 N3 O2 c1ccc(c(c1....
12 4MW5 - 415 C18 H22 Cl N3 O2 COc1cc(cc(....
13 4ZT6 - 4RD C18 H18 Cl2 F N5 O c1cc(nc2c1....
14 4MW4 - MET C5 H11 N O2 S CSCC[C@@H]....
15 4MW2 - MET C5 H11 N O2 S CSCC[C@@H]....
16 4MWD - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
17 5K0S ic50 = 0.006 uM 0OU C19 H19 Cl2 N3 O c1ccc2c(c1....
18 4PY2 ic50 = 0.272 uM 43E C15 H17 Cl2 N3 O S c1cscc1NC(....
19 5XET - ME8 C15 H23 N6 O8 P S CSCC[C@@H]....
20 3KFL - ME8 C15 H23 N6 O8 P S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADN; Similar ligands found: 305
No: Ligand ECFP6 Tc MDL keys Tc
1 RAB 1 1
2 ADN 1 1
3 XYA 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 LMS 0.68254 0.7375
16 5AD 0.672727 0.854839
17 SRA 0.671875 0.797297
18 6RE 0.671875 0.830986
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 ABM 0.651515 0.819444
23 A2D 0.651515 0.84507
24 J7C 0.651515 0.842857
25 A3N 0.651515 0.923077
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 BA3 0.632353 0.84507
32 A12 0.632353 0.810811
33 AP2 0.632353 0.810811
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 5AS 0.623188 0.714286
37 AP5 0.623188 0.84507
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 HEJ 0.619718 0.84507
41 5X8 0.619718 0.865672
42 AT4 0.614286 0.810811
43 A7D 0.614286 0.909091
44 SON 0.614286 0.786667
45 5FA 0.611111 0.84507
46 AQP 0.611111 0.84507
47 APC 0.611111 0.810811
48 26A 0.606557 0.893939
49 2FA 0.606557 0.924242
50 ADX 0.605634 0.759494
51 AU1 0.605634 0.821918
52 CA0 0.605634 0.821918
53 MHZ 0.605634 0.75641
54 M33 0.605634 0.833333
55 AGS 0.60274 0.8
56 AD9 0.60274 0.821918
57 SAP 0.60274 0.8
58 2AM 0.6 0.842857
59 ACP 0.597222 0.821918
60 SFG 0.597222 0.850746
61 50T 0.597222 0.833333
62 MTP 0.590164 0.852941
63 APR 0.589041 0.84507
64 PRX 0.589041 0.797297
65 AR6 0.589041 0.84507
66 A3G 0.588235 0.938462
67 ACQ 0.586667 0.821918
68 T99 0.586667 0.810811
69 TAT 0.586667 0.810811
70 A3P 0.585714 0.816901
71 SA8 0.581081 0.794521
72 RBY 0.581081 0.810811
73 A5D 0.581081 0.865672
74 ADP PO3 0.581081 0.842857
75 ADV 0.581081 0.810811
76 6MD 0.580645 0.952381
77 1DA 0.580645 1
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 G5A 0.573333 0.714286
82 SAI 0.573333 0.828571
83 A22 0.56962 0.833333
84 ANP 0.565789 0.821918
85 GAP 0.565789 0.821918
86 SAM 0.565789 0.773333
87 NEC 0.565217 0.876923
88 3AD 0.564516 0.951613
89 6YZ 0.564103 0.821918
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 5AL 0.558442 0.808219
93 AAT 0.558442 0.819444
94 EEM 0.558442 0.773333
95 ADP ALF 0.551282 0.776316
96 ATF 0.551282 0.810811
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 SSA 0.544304 0.73494
102 S7M 0.544304 0.773333
103 ADP VO4 0.544304 0.808219
104 VO4 ADP 0.544304 0.808219
105 SRP 0.544304 0.810811
106 SMM 0.544304 0.74359
107 QQX 0.544118 0.756757
108 S8M 0.54321 0.805556
109 ADP BMA 0.542169 0.847222
110 A2P 0.541667 0.802817
111 3L1 0.539683 0.907692
112 3D1 0.539683 0.907692
113 PAP 0.539474 0.830986
114 VMS 0.5375 0.702381
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 LSS 0.536585 0.678161
118 QQY 0.536232 0.767123
119 ACK 0.536232 0.811594
120 A3T 0.533333 0.968254
121 53H 0.530864 0.694118
122 5CA 0.530864 0.73494
123 TSB 0.530864 0.731707
124 8X1 0.530864 0.689655
125 MAP 0.530864 0.8
126 DAL AMP 0.530864 0.808219
127 OOB 0.52439 0.808219
128 9ZA 0.52439 0.766234
129 8QN 0.52439 0.808219
130 5SV 0.52439 0.75641
131 9ZD 0.52439 0.766234
132 GEK 0.52439 0.805556
133 OAD 0.52381 0.821918
134 9X8 0.52381 0.8
135 25L 0.523256 0.833333
136 PPS 0.518987 0.7375
137 DSZ 0.518072 0.714286
138 AMO 0.518072 0.810811
139 A1R 0.518072 0.813333
140 A3R 0.518072 0.813333
141 0UM 0.518072 0.808219
142 4AD 0.518072 0.8
143 PAJ 0.518072 0.792208
144 NSS 0.518072 0.714286
145 A A 0.517647 0.819444
146 6CR 0.515152 0.910448
147 SP1 0.514286 0.77027
148 RP1 0.514286 0.77027
149 2VA 0.513158 0.938462
150 DLL 0.511905 0.808219
151 AHX 0.511905 0.802632
152 00A 0.511905 0.766234
153 62X 0.511905 0.74359
154 NVA LMS 0.511905 0.670455
155 3OD 0.511628 0.821918
156 PTJ 0.511628 0.75641
157 ME8 0.511628 0.728395
158 7D3 0.506849 0.783784
159 V3L 0.506329 0.819444
160 A6D 0.505882 0.763158
161 LEU LMS 0.505882 0.670455
162 K15 0.505882 0.763158
163 3UK 0.505882 0.797297
164 GSU 0.5 0.694118
165 B5V 0.5 0.786667
166 P5A 0.5 0.681818
167 KAA 0.5 0.689655
168 NVA 2AD 0.5 0.884058
169 PR8 0.5 0.759494
170 CMP 0.5 0.826087
171 LAD 0.5 0.769231
172 ATR 0.5 0.816901
173 5F1 0.5 0.80597
174 2BA 0.5 0.814286
175 WAQ 0.5 0.766234
176 AD3 0.5 1
177 ATP A A A 0.494382 0.830986
178 9K8 0.494253 0.670455
179 JB6 0.494253 0.766234
180 1ZZ 0.494253 0.728395
181 FYA 0.494253 0.808219
182 SXZ 0.494253 0.773333
183 TXA 0.494253 0.810811
184 BIS 0.494253 0.789474
185 NB8 0.494253 0.779221
186 SO8 0.493671 0.924242
187 VRT 0.493671 0.897059
188 IVH 0.493333 0.835616
189 KB1 0.488636 0.783784
190 MYR AMP 0.488636 0.728395
191 2A5 0.487179 0.797297
192 NOC 0.484375 0.903226
193 4UV 0.483516 0.776316
194 9SN 0.483146 0.75641
195 A2R 0.481928 0.833333
196 7D4 0.480519 0.783784
197 FA5 0.477778 0.786667
198 YAP 0.477778 0.776316
199 B5Y 0.477778 0.776316
200 B5M 0.477778 0.776316
201 8PZ 0.477778 0.714286
202 D3Y 0.47619 0.924242
203 AR6 AR6 0.473118 0.819444
204 AFH 0.473118 0.792208
205 YSA 0.472527 0.694118
206 XAH 0.472527 0.75
207 EKK 0.469697 0.923077
208 TBN 0.46875 0.983607
209 3BH 0.46875 0.953125
210 AMP DBH 0.467391 0.821918
211 TYR AMP 0.467391 0.776316
212 101 0.465753 0.780822
213 LAQ 0.463158 0.728395
214 TO1 0.462687 0.952381
215 G3A 0.462366 0.779221
216 7C5 0.462366 0.819444
217 UPA 0.459184 0.813333
218 LPA AMP 0.458333 0.728395
219 G5P 0.457447 0.779221
220 7MD 0.457447 0.772152
221 ARG AMP 0.457447 0.740741
222 4UU 0.457447 0.776316
223 GA7 0.457447 0.835616
224 A A A 0.454545 0.808219
225 EKH 0.454545 0.923077
226 5ID 0.454545 0.923077
227 TAD 0.452632 0.769231
228 4YB 0.452632 0.678161
229 GTA 0.452632 0.75
230 KH3 0.452632 0.776316
231 DQV 0.452632 0.833333
232 3NZ 0.449438 0.884058
233 WSA 0.44898 0.702381
234 OMR 0.44898 0.740741
235 TYM 0.44898 0.786667
236 AHZ 0.447917 0.728395
237 FTU 0.447761 0.923077
238 139 0.445545 0.782051
239 YLP 0.443299 0.731707
240 48N 0.443299 0.779221
241 AFX 0.441176 0.768116
242 ARJ 0.441176 0.857143
243 AV2 0.440476 0.77027
244 DA 0.44 0.756757
245 D5M 0.44 0.756757
246 5J9 0.43956 0.773333
247 UP5 0.438776 0.8
248 NAI 0.438776 0.789474
249 NXX 0.438776 0.810811
250 NAX 0.438776 0.759494
251 6V0 0.438776 0.779221
252 4UW 0.438776 0.746835
253 TXD 0.438776 0.789474
254 DND 0.438776 0.810811
255 NA7 0.438202 0.810811
256 PO4 PO4 A A A A PO4 0.438202 0.802817
257 MZR 0.4375 0.859375
258 V1N 0.43617 0.819444
259 HO4 0.434783 0.952381
260 TXE 0.434343 0.789474
261 649 0.434343 0.662921
262 AF3 ADP 3PG 0.434343 0.746835
263 IMO 0.434211 0.777778
264 3AT 0.433735 0.819444
265 G A A A 0.432692 0.779221
266 8Q2 0.43 0.689655
267 F0P 0.43 0.794521
268 AP0 0.43 0.779221
269 7MC 0.43 0.753086
270 YLC 0.43 0.75
271 YLB 0.43 0.731707
272 4TC 0.43 0.779221
273 SGV 0.428571 0.967742
274 BS5 0.427184 0.674157
275 A4P 0.425743 0.73494
276 IOT 0.421569 0.722892
277 DAT 0.419753 0.76
278 COD 0.419048 0.72619
279 T5A 0.417476 0.731707
280 ADJ 0.417476 0.740741
281 YLA 0.417476 0.731707
282 AS 0.415584 0.717949
283 J1D 0.415094 0.625
284 0XU 0.414634 0.823529
285 CNA 0.413462 0.810811
286 AYB 0.413462 0.722892
287 103 0.413333 0.716216
288 A U 0.411765 0.8
289 80F 0.411215 0.731707
290 GMP 0.410959 0.882353
291 EO7 0.410256 0.702381
292 F2R 0.409524 0.753086
293 GGZ 0.409091 0.7125
294 U A 0.407407 0.766234
295 ITT 0.407407 0.791667
296 A G 0.40566 0.766234
297 BTX 0.40566 0.710843
298 4TA 0.40566 0.719512
299 NAD 0.40566 0.808219
300 AMP NAD 0.40566 0.808219
301 SFB 0.401961 0.709302
302 DZD 0.401869 0.769231
303 U A G G 0.401869 0.766234
304 BT5 0.401869 0.702381
305 DTP 0.4 0.76
Ligand no: 2; 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 : 2X1L; Ligand: ADN; Similar sites found with APoc: 165
This union binding pocket(no: 1) in the query (biounit: 2x1l.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 1PTR PRB None
3 4U8P UDP 0.974659
4 5Y0N ATP 1.37931
5 5Y0Q APC 1.38249
6 5Y0T TAT 1.41176
7 1T9D P25 1.52672
8 1T9D PYD 1.52672
9 1T9D 1MM 1.52672
10 1T9D FAD 1.52672
11 3MKN DNB 1.71756
12 5FJN FAD 1.75439
13 5FJN BE2 1.75439
14 3HQP OXL 1.80361
15 1BOB ACO 1.875
16 5GM9 CBK 1.87793
17 4DE3 DN8 1.90114
18 3BY9 SIN 1.92308
19 2GKS ADP 2.09924
20 1WUU GLA 2.09924
21 1MXH DHF 2.17391
22 1MXH NAP 2.17391
23 1ZCB GDP 2.20994
24 5WS9 OXL 2.31579
25 2C49 ANP 2.31788
26 1T36 U 2.35602
27 4OKS 2T9 2.37069
28 1HSK FAD 2.45399
29 1RP0 AHZ 2.46479
30 4MAF ADX 2.48092
31 3WXM GTP 2.48092
32 1GP2 GDP 2.54958
33 4DN8 BMA 2.5641
34 1Q19 SSC 2.58449
35 2VVM FAD 2.62626
36 2VVL FAD 2.62626
37 4RW3 SHV 2.64901
38 5ZDK ATP 2.67176
39 3AWJ COA 2.73632
40 2VZZ SCA 2.75229
41 1HFU NAG NDG 2.7833
42 3G5D 1N1 2.7972
43 1XMV ADP 2.80899
44 5TSH ADP 2.8626
45 4L80 OXL 2.8626
46 5EQ8 HSO 2.88809
47 1BDB NAD 2.88809
48 1R6T TYM 2.93501
49 4JB1 FAD 2.94118
50 4JB1 NAP 2.94118
51 1J09 ATP 2.99145
52 1J09 GLU 2.99145
53 6CHP F0Y 3.10559
54 2AWN ADP 3.14961
55 1V47 ADX 3.15186
56 2ZR9 DTP 3.15186
57 1R6U TYM 3.20366
58 1XP8 AGS 3.27869
59 4U00 ADP 3.27869
60 3NOJ PYR 3.36134
61 4JD3 COA 3.39943
62 4JD3 PLM 3.39943
63 3NRR D16 3.49515
64 1SBR VIB 3.5
65 5FB3 NDP 3.5503
66 4LAE NAP 3.59281
67 4LAE 1VM 3.59281
68 1KY8 NAP 3.59281
69 4PIV NDP 3.62595
70 1JUV NDP 3.62694
71 4PYA 2X3 3.72671
72 1K4M NAD 3.75587
73 1GPM AMP 3.81679
74 1NXJ TLA 3.82514
75 5JFL NAD 4.00763
76 2XZ9 PYR 4.01235
77 5W8Q BU4 4.10256
78 3ZL8 ADP 4.11899
79 4F8L AES 4.13793
80 1M5B BN1 4.18251
81 2PID YSA 4.21348
82 1JIL 485 4.28571
83 3EWA ANP 4.34783
84 5OSW DIU 4.38931
85 4TQK NAG 4.4335
86 4UYW H1S 4.43864
87 2G50 PYR 4.5283
88 1H5Q NAP 4.5283
89 1QHG ATP 4.58015
90 5LLT DND 4.69484
91 5OCG 9R5 4.7619
92 4B2D SER 4.77099
93 4IP7 FLC 4.77099
94 3FIU POP 4.81928
95 4J75 TYM 4.88998
96 5WXU FLC 5.01044
97 4KM2 TOP 5.02793
98 1W6F ISZ 5.03597
99 1G6H ADP 5.05837
100 5DK4 ATP 5.16717
101 5DK4 5BX 5.16717
102 6FA4 D1W 5.20231
103 4KCT PYR 5.21042
104 1EE0 CAA 5.22388
105 5MB4 NAG 5.23691
106 1U0J ADP 5.24345
107 2B6N ALA PRO THR 5.39568
108 5N5U AMP 5.41401
109 5HWK BEZ 5.41667
110 5WX3 COA 5.55556
111 3SJ7 NDP 5.55556
112 1G0N NDP 5.65371
113 1G0N PHH 5.65371
114 2D3M COA 5.72519
115 1KC7 PPR 5.72519
116 4UP4 NDG 5.73566
117 4UP4 GAL NAG 5.73566
118 5WSY 7UC 5.78035
119 3N39 FMN 5.88235
120 1LLU NAD 6.14035
121 1N1D C2G 6.20155
122 1DTL BEP 6.21118
123 1NAA 6FA 6.29771
124 3COW 52H 6.97674
125 1Q8Q MAN MMA 7.14286
126 2PHX MAN MAN 7.14286
127 1N62 FAD 7.22892
128 2X3F APC 7.36842
129 3CX8 GSP 7.38916
130 6BMN PAP 7.45763
131 3TY3 GGG 7.65027
132 4FJU NAI 7.69231
133 3C8Z 5CA 7.72947
134 1AOE GW3 7.8125
135 1AOE NDP 7.8125
136 3JUC PCA 7.84314
137 1KQN NAD 7.8853
138 2H29 DND 7.93651
139 4NAT 2W5 8.125
140 3QWI NAP 8.14815
141 3QWI CUE 8.14815
142 2CDC XYS 8.19672
143 1U72 NDP 8.60215
144 1U72 MTX 8.60215
145 3AFH GSU 8.60656
146 5OLK DTP 8.83721
147 4JX1 CAM 9.15663
148 2D2F ADP 9.6
149 6F5W KG1 10.0271
150 5C9P FUC 10.4987
151 3VPB GLU 10.7143
152 5O0B 9FE 11.1111
153 1WHT BZS 11.3281
154 3ND6 ATP 11.6959
155 5X3D 7XL 12.5
156 5G5G MCN 12.5786
157 1F9A ATP 13.6905
158 2FKA BEF 14.7287
159 2V0C LEU LMS 15.2672
160 1JZS MRC 16.9847
161 6FTB M0E 19.5238
162 4WGF HX2 20
163 3ZIU LSS 20.4198
164 2QTR NXX 23.8095
165 4LO6 SIA GAL 28.9474
Pocket No.: 2; Query (leader) PDB : 2X1L; Ligand: MET; Similar sites found with APoc: 170
This union binding pocket(no: 2) in the query (biounit: 2x1l.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3ICT FAD 1.14504
2 1OLT SAM 1.33588
3 4RLQ 3SK 1.34875
4 4CYI ATP 1.36986
5 6A1G 9OL 1.38889
6 2UZ1 TPP 1.52672
7 3IAE D7K 1.52672
8 2FV5 541 1.53257
9 1OFD AKG 1.71756
10 5FJN BE2 1.75439
11 5IXK 6EW 1.75439
12 1IYK MYA 1.78571
13 2WME NAP 1.83673
14 2WOX NDP 1.84049
15 2ZYI STE 1.89474
16 6GWR FEW 1.90476
17 4LH0 GLV 1.9084
18 1N46 PFA 1.93798
19 3UR0 SVR 1.94175
20 3ZZH NLG 1.9544
21 3BNK FMN 2.04082
22 2X5W K2B 2.04545
23 3ZKK XYP XYP XYP XYP 2.17918
24 5WA0 MSS 2.19178
25 4LY9 1YY 2.29008
26 4LY9 S6P 2.29008
27 3ECN IBM 2.36686
28 1Z45 GAL 2.48092
29 5F1R 42O 2.53165
30 1WPY BTN 2.55319
31 4JWH SAH 2.55591
32 4NSQ COA 2.63158
33 2WBV SIA 2.6455
34 4Q86 AMP 2.67176
35 4QC6 30N 2.7933
36 1LH0 PRP 2.8169
37 6A5K SAM 2.8626
38 5JKG 6LF 2.89389
39 5V7I 8Z1 2.94118
40 4K37 SAM 2.97297
41 4K38 SAM 2.97297
42 3LM9 ADP 2.98013
43 1J09 GLU 2.99145
44 5EXE 5SR 3.03797
45 3A51 VDY 3.16302
46 4OYA 1VE 3.19149
47 2WSA 646 3.19635
48 2WSA MYA 3.19635
49 4LIX AG8 3.24427
50 3JZB 4HY 3.37079
51 1JG3 ADN 3.43511
52 2D7I UDP 3.43511
53 2P1C GG3 3.43511
54 5UWA 8ND 3.44828
55 1SR7 MOF 3.4749
56 3RMK BML 3.61446
57 2YNC YNC 3.64583
58 4IDT T28 3.65169
59 5O96 SAM 3.67347
60 1W5F G2P 3.68272
61 4M4Q 21A 3.73444
62 2W41 ADP 3.74753
63 3ZLR X0B 3.79747
64 2CJF RP4 3.82166
65 4ZDM GLY 3.83142
66 1TMT DPN PRO ARG 3.861
67 2Q2V NAD 3.92157
68 4JLS 3ZE 3.94737
69 1UKW FAD 3.95778
70 1XOC VAL ASP SER LYS ASN THR SER SER TRP 4.03846
71 2FR6 CTN 4.10959
72 3MDV CL6 4.16667
73 3WB0 FEG 4.21687
74 6GKV SAH 4.2735
75 1NHZ 486 4.28571
76 2RHO GSP 4.30769
77 5X8I SQZ 4.33526
78 3KFC 61X 4.34783
79 5VAH SAH 4.36681
80 4GYI ADP 4.53401
81 5HES 032 4.56026
82 1AJ8 COA 4.58221
83 3R35 4CO 4.63576
84 2ZW5 COA 4.65116
85 3GKJ HC3 4.74138
86 1JQN DCO 4.77099
87 3AI7 TPP 4.77099
88 1I1N SAH 4.86726
89 5LX9 OLA 4.92958
90 2VAP GDP 4.94506
91 5Y6Q FAD 4.96183
92 2Q28 ADP 4.96183
93 4IZC 1GZ 5.09091
94 6G96 ACO 5.11364
95 5DK4 5BX 5.16717
96 5DK4 ATP 5.16717
97 5HZ9 5M8 5.18518
98 3ABA FLI 5.21092
99 5B25 4QJ 5.32544
100 5JBX MLI 5.36398
101 5N5U 7N8 5.41401
102 5N5U AMP 5.41401
103 4K6B GLU 5.59006
104 5EPO TUD 5.72519
105 3H0A D30 5.72519
106 1T0S BML 5.81395
107 2GJ3 FAD 5.83333
108 4QWT ACD 5.91603
109 2NPA MMB 5.92593
110 1O9J NAD 5.98802
111 2QLU ADE 6.05096
112 5L92 C0R 6.09756
113 5L92 MLA 6.09756
114 3E7O 35F 6.11111
115 3HRD FAD 6.25
116 6ALW BMJ 6.25
117 6ALW BNV 6.25
118 5V3Y 5V8 6.29371
119 3WVR AMP 6.29771
120 1JXZ BCA 6.3197
121 1NZY BCA 6.3197
122 6D5G GNP 6.58683
123 1OFU GDP 6.72269
124 1V0C KNC 6.93069
125 1V0C ACO 6.93069
126 6EMU SAM 7.1066
127 1Q11 TYE 7.25806
128 2MBR EPU 7.35294
129 4YUW S4M 7.56579
130 4YUW 4JU 7.56579
131 5JPH COA 7.63889
132 3C8Z 5CA 7.72947
133 2FXV 5GP 7.73196
134 4JJF FE9 7.84884
135 4JJF N2I 7.84884
136 1EXF GLY 7.85124
137 4R57 ACO 7.95455
138 4HXY NDP 8.01527
139 5B4B LP5 8.06452
140 3T6E MQ9 8.14607
141 1S17 GNR 8.88889
142 5XDT GDP 8.96947
143 4I54 1C1 9.06516
144 4WQ2 3SU 9.24856
145 4TMC HBA 9.92556
146 3X1M COA 10.6918
147 5F5N NAD 10.7266
148 4C5N ACP 11.2319
149 4C5N PXL 11.2319
150 5T9F TYR 11.4391
151 5T9F NAP 11.4391
152 1RV0 NDG 11.875
153 5UWS GNP 11.8881
154 4A91 GLU 12.4161
155 1XXA ARG 12.8205
156 2JBZ COA 13.2867
157 1OYB HBA 14.75
158 1OYB FMN 14.75
159 5ZCO PGV 15.0685
160 2DYR PGV 15.0685
161 5Z84 PGV 15.0685
162 2V0C LEU LMS 15.2672
163 5TVF PUT 16.4706
164 1JZS MRC 16.9847
165 5LU5 M7P 19.2893
166 3ZIU LSS 20.4198
167 2PS1 PRP 21.2389
168 2PS1 ORO 21.2389
169 2QTR NXX 23.8095
170 3B1M KRC 42.1053
Pocket No.: 3; Query (leader) PDB : 2X1L; Ligand: ADN; Similar sites found with APoc: 73
This union binding pocket(no: 3) in the query (biounit: 2x1l.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z87 GDP 1.71756
2 5BRT FAD 1.71756
3 1WPQ 13P 1.7192
4 3UYK 0CX 1.80879
5 4DE2 DN3 1.90114
6 1X54 4AD 2.07373
7 5AE2 FAD 2.09924
8 5AE2 FYC 2.09924
9 1PN0 IPH 2.25564
10 1PN0 FAD 2.25564
11 1V97 FAD 2.29008
12 4LY9 S6P 2.29008
13 4LY9 1YY 2.29008
14 1F0X FAD 2.48092
15 4YSW NAI 2.48092
16 4YSW FAD 2.48092
17 3IHG FAD 2.48092
18 5KDO GDP 2.51397
19 2XTZ GSP 2.54237
20 6BA2 7KM 2.67176
21 2XGT NSS 2.75862
22 3JQ9 NAP 2.77778
23 2O66 FLC 2.96296
24 5VN0 FAD 3.0888
25 1ORR NAD 3.17003
26 2I0K FAD 3.24427
27 1C0I FAD 3.30579
28 1C0I BE2 3.30579
29 5BSR COA 3.43511
30 3A7R LAQ 3.56083
31 1QFY FAD 3.57143
32 1QFY NAP 3.57143
33 1FIQ FAD 3.65297
34 1AE1 NAP 3.663
35 3TAY MN0 3.68098
36 4UXH T5A 3.80435
37 1NXJ GLV 3.82514
38 2NVK FAD 3.89344
39 4URN NOV 4
40 4W93 3L9 4.03226
41 1J2Z SOG 4.07407
42 2ZRU FMN 4.07609
43 5T0K SAM 4.27046
44 4EI7 GDP 4.62725
45 2FLI DX5 4.77099
46 3NRZ FAD 4.87805
47 4POW OP1 4.96183
48 5Y6Q FAD 4.96183
49 1WVC CTP 5.01931
50 1DJL NAP 5.15267
51 1D6H COA 5.16796
52 2Y4O DLL 5.19187
53 5BV6 35G 5.26316
54 4LSJ LSJ 5.42636
55 1M2Z BOG 5.44747
56 4UP4 NAG 5.73566
57 4NVQ 2OD 5.96491
58 4NVQ SAH 5.96491
59 1PN4 HDC 6.42857
60 1UY4 XYP XYP XYP XYP 6.89655
61 5I8F ML1 7.27273
62 1T3Q FAD 7.29167
63 4M7V NAP 8.57143
64 5A0R ACE GLU VAL ASN PRO 8.58586
65 5KF6 TFB 8.77863
66 5KF6 FAD 8.77863
67 4RFM 3P6 9.3985
68 5TUZ SAM 10.3448
69 5TUZ 7L6 10.3448
70 5T2U NAP 10.8871
71 3KLJ FAD 10.9091
72 4C5N PXL 11.2319
73 4C5N ACP 11.2319
Pocket No.: 4; Query (leader) PDB : 2X1L; Ligand: MET; Similar sites found with APoc: 45
This union binding pocket(no: 4) in the query (biounit: 2x1l.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3VRY B43 1.10132
2 3ICR FAD 1.14504
3 3ICS FAD 1.14504
4 2NNJ 225 1.47059
5 3NT6 FAD 1.71756
6 4KBY C2E 1.93237
7 6AM8 PLT 2.0202
8 4QVH COA 2.09924
9 5DRB 5FJ 2.4055
10 6FHO FAD 2.75689
11 4DI8 0GZ 2.9703
12 4DI8 0GY 2.9703
13 1FS5 TLA 3.00752
14 3OII SAH 3.16206
15 3B2Q ATP 3.19829
16 2QM9 TDZ 3.22581
17 5AAV GW5 3.57143
18 2BJ4 OHT 3.57143
19 2YNE YNE 3.64583
20 2YNE NHW 3.64583
21 3VXE DPN PRO ARG 3.861
22 2ANM CDO 3.89105
23 2A9D MTE 4.03226
24 4IVG ANP 4.19847
25 2Y6Q FAD 4.19847
26 2CWH PYC 4.95627
27 2CWH NDP 4.95627
28 3L0E G58 5.13834
29 1RJD SAM 5.15267
30 2C6Q NDP 5.41311
31 5ECP ATP 5.8296
32 2P54 735 5.99251
33 3N7O N7O 6.19469
34 5YGE ACO 6.32184
35 5L9O GOP 7.46269
36 2JCB ADP 8
37 1MH1 GNP 8.60215
38 4DQ2 BTX 8.84146
39 5YW5 ADE 8.93855
40 4ZOH FAD 9.73282
41 4QJK COA 9.78723
42 5O0B 9FE 11.1111
43 3GXZ BMA MAN MAN MAN 12.8713
44 5Y80 IRE 14.1892
45 2DYS PGV 15.0685
Pocket No.: 5; Query (leader) PDB : 2X1L; Ligand: MET; Similar sites found with APoc: 12
This union binding pocket(no: 5) in the query (biounit: 2x1l.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5TUF FAD 2.20049
2 2NP9 YE1 2.5
3 2H04 4UN 3.51438
4 2HNK SAH 4.1841
5 3ABI NAD 4.65753
6 2F1K NAP 5.01792
7 5ETJ IM5 5.55556
8 1I1D 16G 5.59006
9 3MBG FAD 5.7554
10 5ECP JAA 5.8296
11 5ECP MET 5.8296
12 4CQE CQE 10.4317
Pocket No.: 6; Query (leader) PDB : 2X1L; Ligand: ADN; Similar sites found with APoc: 54
This union binding pocket(no: 6) in the query (biounit: 2x1l.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2Q4W FAD 1.14504
2 2BJK NAD 1.35659
3 4PFC 2QX 1.52672
4 5CG1 NAD BBN 1.63934
5 3VET TOY 1.71756
6 3VET CP 1.71756
7 3VET ADP 1.71756
8 1F76 FMN 1.78571
9 3GD8 GOL 1.79372
10 4LH0 GLV 1.9084
11 6AMI TRP 2.0202
12 5N9X THR 2.09924
13 4R0M FA5 2.17729
14 1KBI FMN 2.34834
15 4EHU ANP 2.53623
16 2BSA FAD 2.64026
17 4O1M NAD 2.85714
18 2R75 01G 2.95858
19 1QG6 NAD 3.06513
20 1QG6 TCL 3.06513
21 5BSR AMP 3.43511
22 3VZ3 SSN 3.43511
23 3VZ3 NAP 3.43511
24 2YPO PHE 3.4632
25 3BF1 PAU 3.61446
26 3BF1 ADP 3.61446
27 5TDF ADP 3.7123
28 4KBS PX2 3.72093
29 6F8A HIS 4
30 2UUU FAD 4.00763
31 3GC8 B45 4.05405
32 1YKI NFZ 4.14747
33 4C3Y FAD 4.15094
34 1HDR NAD 4.5082
35 3AB1 FAD 4.72222
36 5HSA FAS 4.96183
37 1NUS NMN 4.96183
38 1NUS APC 4.96183
39 5XKT GNP 5
40 2OOR TXP 5.17241
41 4ITU 1HS 5.20446
42 3HL4 CDC 5.50847
43 4W6Z 8ID 6.34006
44 3OID NDP 6.58915
45 4D57 ARG AMP 6.87023
46 4QYS PLP SEP 7.69231
47 1Z0S ATP 7.91367
48 5ODQ 9SB 8.20611
49 1YUM NCN 8.26446
50 4NMC FAD 8.58779
51 4NMC 2OP 8.58779
52 4CZG ADP 8.58779
53 4CZG QH3 8.58779
54 6GFK SAH 12.3506
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