-->
Receptor
PDB id Resolution Class Description Source Keywords
3E9I 2.2 Å EC: 6.1.1.6 LYSYL-TRNA SYNTHETASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH L-LYSINE HYDROXAMATE-AMP BACILLUS STEAROTHERMOPHILUS AMINOACYL TRNA SYNTHETASE LIGASE PROTEIN BIOSYNTHESIS ATP-BINDING CYTOPLASM MAGNESIUM METAL-BINDING NUCLEOTIDE-BINDING
Ref.: TWO CRYSTAL STRUCTURES OF LYSYL-TRNA SYNTHETASE FROM BACILLUS STEAROTHERMOPHILUS IN COMPLEX WITH LYSYLADENYLATE-LIKE COMPOUNDS: INSIGHTS INTO THE IRREVERSIBLE FORMATION OF THE ENZYME-BOUND ADENYLATE OF L-LYSINE HYDROXAMATE J.BIOCHEM.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:494;
B:494;
C:1202;
C:494;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
MG A:1000;
B:1100;
C:1200;
D:1300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
XAH A:1001;
B:1101;
C:1201;
D:1301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
490.408 C16 H27 N8 O8 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E9I 2.2 Å EC: 6.1.1.6 LYSYL-TRNA SYNTHETASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH L-LYSINE HYDROXAMATE-AMP BACILLUS STEAROTHERMOPHILUS AMINOACYL TRNA SYNTHETASE LIGASE PROTEIN BIOSYNTHESIS ATP-BINDING CYTOPLASM MAGNESIUM METAL-BINDING NUCLEOTIDE-BINDING
Ref.: TWO CRYSTAL STRUCTURES OF LYSYL-TRNA SYNTHETASE FROM BACILLUS STEAROTHERMOPHILUS IN COMPLEX WITH LYSYLADENYLATE-LIKE COMPOUNDS: INSIGHTS INTO THE IRREVERSIBLE FORMATION OF THE ENZYME-BOUND ADENYLATE OF L-LYSINE HYDROXAMATE J.BIOCHEM.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3E9H - KAA C16 H26 N8 O7 S c1nc(c2c(n....
2 3E9I - XAH C16 H27 N8 O8 P c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E9H - KAA C16 H26 N8 O7 S c1nc(c2c(n....
2 3E9I - XAH C16 H27 N8 O8 P c1nc(c2c(n....
3 1E1T - LAD C16 H26 N7 O8 P c1nc(c2c(n....
4 1E24 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 1E1O - LYS C6 H15 N2 O2 C(CC[NH3+]....
6 1E22 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3E9H - KAA C16 H26 N8 O7 S c1nc(c2c(n....
2 3E9I - XAH C16 H27 N8 O8 P c1nc(c2c(n....
3 3BJU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1E1T - LAD C16 H26 N7 O8 P c1nc(c2c(n....
5 1E24 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1E1O - LYS C6 H15 N2 O2 C(CC[NH3+]....
7 1E22 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XAH; Similar ligands found: 279
No: Ligand ECFP6 Tc MDL keys Tc
1 XAH 1 1
2 AHX 0.815217 0.9375
3 LAD 0.742268 0.95
4 KAA 0.673267 0.853933
5 CA0 0.655914 0.841463
6 A2D 0.637363 0.839506
7 SRP 0.636364 0.9
8 5AL 0.632653 0.851852
9 AN2 0.62766 0.851852
10 AMO 0.627451 0.876543
11 BA3 0.623656 0.839506
12 ADP 0.617021 0.839506
13 AP5 0.617021 0.839506
14 B4P 0.617021 0.839506
15 AT4 0.610526 0.809524
16 YLP 0.607143 0.904762
17 AMP 0.604396 0.8375
18 A 0.604396 0.8375
19 ADX 0.604167 0.764045
20 M33 0.604167 0.829268
21 ME8 0.603774 0.837209
22 NB8 0.603774 0.91358
23 8QN 0.601942 0.851852
24 ACP 0.597938 0.841463
25 HEJ 0.597938 0.839506
26 ATP 0.597938 0.839506
27 50T 0.597938 0.807229
28 7MD 0.594595 0.926829
29 WAQ 0.59434 0.901235
30 PRX 0.591837 0.819277
31 5FA 0.591837 0.839506
32 AQP 0.591837 0.839506
33 AR6 0.591837 0.839506
34 APR 0.591837 0.839506
35 YLC 0.591304 0.926829
36 YLB 0.591304 0.904762
37 ANP 0.59 0.841463
38 TXA 0.588785 0.831325
39 SAP 0.585859 0.8
40 AGS 0.585859 0.8
41 AD9 0.585859 0.819277
42 ABM 0.585106 0.817073
43 AYB 0.584746 0.894118
44 PAJ 0.580952 0.813953
45 4AD 0.580952 0.865854
46 ATF 0.578431 0.809524
47 YLA 0.576271 0.904762
48 DLL 0.575472 0.851852
49 ACQ 0.574257 0.841463
50 A12 0.572917 0.853659
51 AP2 0.572917 0.853659
52 FA5 0.572727 0.876543
53 YAP 0.572727 0.865854
54 AU1 0.571429 0.841463
55 OOB 0.571429 0.851852
56 3UK 0.570093 0.841463
57 B5V 0.564815 0.831325
58 PR8 0.564815 0.938272
59 SRA 0.56383 0.797619
60 00A 0.560748 0.811765
61 FYA 0.559633 0.851852
62 PTJ 0.559633 0.802326
63 1ZZ 0.559633 0.837209
64 6YZ 0.557692 0.841463
65 5SV 0.556604 0.823529
66 9ZD 0.556604 0.833333
67 9ZA 0.556604 0.833333
68 TYM 0.555556 0.876543
69 OAD 0.555556 0.841463
70 F2R 0.553719 0.882353
71 A1R 0.551402 0.901235
72 N0B 0.551181 0.904762
73 GSU 0.550459 0.8
74 9SN 0.54955 0.802326
75 A22 0.54717 0.829268
76 SON 0.545455 0.876543
77 BIS 0.545455 0.833333
78 3OD 0.545455 0.841463
79 B5M 0.544643 0.821429
80 APC 0.544554 0.853659
81 GAP 0.543689 0.864198
82 T99 0.543689 0.809524
83 TAT 0.543689 0.809524
84 SSA 0.542857 0.8
85 25A 0.542056 0.839506
86 IOT 0.541667 0.894118
87 9X8 0.541284 0.8
88 YLY 0.539683 0.894118
89 ADV 0.539216 0.853659
90 RBY 0.539216 0.853659
91 7MC 0.537815 0.904762
92 ADQ 0.537037 0.841463
93 A3R 0.537037 0.901235
94 DSZ 0.537037 0.78022
95 A5A 0.533333 0.766667
96 DAL AMP 0.53271 0.829268
97 5CA 0.53271 0.8
98 TSB 0.53271 0.758242
99 B5Y 0.530973 0.821429
100 TXE 0.529412 0.833333
101 4UU 0.525862 0.821429
102 48N 0.525424 0.823529
103 ADP PO3 0.524272 0.8375
104 VMS 0.523364 0.75
105 52H 0.523364 0.741935
106 54H 0.523364 0.75
107 LSS 0.522936 0.763441
108 4UV 0.521739 0.821429
109 MAP 0.518519 0.821429
110 53H 0.518519 0.741935
111 LAQ 0.516949 0.837209
112 25L 0.513274 0.829268
113 GA7 0.512821 0.831325
114 ARG AMP 0.512821 0.870588
115 DQV 0.508475 0.851852
116 6V0 0.508333 0.823529
117 4UW 0.508333 0.793103
118 TXD 0.508333 0.833333
119 LMS 0.505155 0.764045
120 G5A 0.504762 0.820225
121 ADP ALF 0.504673 0.77907
122 ALF ADP 0.504673 0.77907
123 NVA LMS 0.504505 0.774194
124 OMR 0.504132 0.827586
125 COD 0.5 0.873563
126 YSA 0.5 0.78022
127 ADP VO4 0.5 0.829268
128 AFH 0.5 0.813953
129 MYR AMP 0.5 0.816092
130 VO4 ADP 0.5 0.829268
131 NAI 0.495868 0.811765
132 DND 0.495868 0.831325
133 UP5 0.495868 0.821429
134 NAX 0.495868 0.847059
135 NXX 0.495868 0.831325
136 GTA 0.495798 0.775281
137 TAD 0.495798 0.835294
138 AMP DBH 0.495726 0.776471
139 NSS 0.495495 0.78022
140 SA8 0.495238 0.752941
141 DSH 0.494949 0.792683
142 80F 0.492188 0.797753
143 G3A 0.491525 0.802326
144 JB6 0.491228 0.833333
145 5X8 0.490385 0.743902
146 5AS 0.490196 0.76087
147 T5A 0.488 0.818182
148 4TC 0.487805 0.823529
149 G5P 0.487395 0.802326
150 LEU LMS 0.486726 0.755319
151 BT5 0.484375 0.850575
152 CNA 0.484127 0.853659
153 TYR AMP 0.483051 0.843373
154 AOC 0.48 0.731707
155 WSA 0.479675 0.788889
156 8PZ 0.478632 0.78022
157 5N5 0.478261 0.75
158 SAH 0.476636 0.768293
159 SFG 0.47619 0.775
160 AP0 0.475806 0.781609
161 J7C 0.475248 0.771084
162 FB0 0.47482 0.844444
163 ADP BMA 0.473684 0.819277
164 5CD 0.473118 0.716049
165 ADN 0.472527 0.75
166 RAB 0.472527 0.75
167 XYA 0.472527 0.75
168 A4P 0.472 0.8
169 2A5 0.471698 0.841463
170 S4M 0.470588 0.730337
171 6RE 0.47 0.761905
172 A A 0.469565 0.817073
173 3DH 0.469388 0.690476
174 DTA 0.46875 0.722892
175 BTX 0.465116 0.860465
176 NAD 0.465116 0.851852
177 ADJ 0.464567 0.827586
178 139 0.464567 0.847059
179 8X1 0.464286 0.813187
180 UPA 0.464 0.833333
181 LPA AMP 0.463415 0.816092
182 SAI 0.462963 0.759036
183 NAQ 0.462687 0.802326
184 DZD 0.461538 0.857143
185 SMM 0.459459 0.711111
186 S7M 0.459459 0.715909
187 7D5 0.459184 0.804878
188 SAM 0.458716 0.715909
189 6IA 0.458716 0.835294
190 EP4 0.458333 0.694118
191 A3D 0.458015 0.841463
192 A4D 0.457447 0.728395
193 A3S 0.457143 0.7875
194 P5A 0.456897 0.844444
195 7D3 0.456311 0.807229
196 GJV 0.456311 0.77381
197 AF3 ADP 3PG 0.456 0.793103
198 AHZ 0.455285 0.775281
199 EEM 0.454545 0.715909
200 AAT 0.454545 0.77381
201 ATP A A A 0.453782 0.82716
202 PAP 0.453704 0.82716
203 ATR 0.453704 0.814815
204 7D4 0.45283 0.807229
205 62X 0.452174 0.730337
206 A3P 0.451923 0.8375
207 AR6 AR6 0.45082 0.817073
208 2SA 0.45045 0.853659
209 MTA 0.44898 0.690476
210 K15 0.448276 0.747126
211 M24 0.447761 0.825581
212 NAE 0.444444 0.821429
213 0UM 0.443478 0.785714
214 A7D 0.443396 0.777778
215 A2R 0.442478 0.829268
216 PPS 0.441441 0.744444
217 6AD 0.441441 0.772727
218 8Q2 0.440945 0.755319
219 9K8 0.440678 0.666667
220 ARU 0.439655 0.752809
221 ITT 0.439252 0.792683
222 M2T 0.438776 0.659091
223 A2P 0.438095 0.825
224 ZID 0.437956 0.841463
225 KB1 0.436975 0.744186
226 A3G 0.436893 0.8
227 HFD 0.436364 0.8
228 VRT 0.436364 0.771084
229 3AM 0.435644 0.825
230 KH3 0.435484 0.758621
231 A3T 0.435185 0.753086
232 NAJ PZO 0.432836 0.802326
233 IMO 0.432692 0.802469
234 A3N 0.432692 0.722892
235 V3L 0.432432 0.839506
236 4TA 0.431818 0.806818
237 EAD 0.431655 0.804598
238 NDE 0.429577 0.831325
239 FNK 0.426667 0.765957
240 MHZ 0.425926 0.781609
241 MAO 0.424528 0.845238
242 NA7 0.423729 0.853659
243 NDC 0.423611 0.86747
244 AVV 0.422414 0.823529
245 AMP NAD 0.421053 0.829268
246 P1H 0.41958 0.806818
247 SFD 0.418919 0.72
248 F0P 0.418605 0.795181
249 ZAS 0.417476 0.746988
250 SXZ 0.416667 0.735632
251 NVA 2AD 0.414414 0.761905
252 A5D 0.414414 0.722892
253 D3Y 0.413793 0.768293
254 4YB 0.412698 0.782609
255 AV2 0.412281 0.77381
256 U A 0.411765 0.811765
257 2AM 0.411765 0.814815
258 649 0.410853 0.804348
259 6C6 0.410714 0.876543
260 GEK 0.410256 0.761905
261 NAJ PYZ 0.410072 0.766667
262 NEC 0.409524 0.707317
263 2VA 0.409091 0.73494
264 3NZ 0.408333 0.761905
265 FDA 0.408163 0.771739
266 7C5 0.408 0.732558
267 BVT 0.40678 0.808511
268 6FA 0.405405 0.797753
269 P5F 0.405063 0.763441
270 Z5A 0.404255 0.78022
271 BV8 0.403409 0.817204
272 NJP 0.402985 0.821429
273 SCO 0.401408 0.863636
274 CMX 0.401408 0.863636
275 OVE 0.4 0.785714
276 G A A A 0.4 0.802326
277 FAS 0.4 0.806818
278 FAD 0.4 0.806818
279 0WD 0.4 0.802326
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E9I; Ligand: XAH; Similar sites found with APoc: 216
This union binding pocket(no: 1) in the query (biounit: 3e9i.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 5XIO HFG 1.21704
3 4YVN EBS 1.21704
4 5XIO ANP 1.21704
5 1HXD BTN 1.24611
6 3HXU A5A 1.5873
7 3GD9 GLC BGC BGC BGC 1.63488
8 1YFS ALA 1.72043
9 5OCQ CIT 1.75439
10 1F9V ADP 2.01729
11 1LTZ HBI 2.0202
12 4WOE ADP 2.0284
13 4HWT 1B2 2.17918
14 4HWS 1B3 2.18978
15 4YDQ ANP 2.23124
16 4YDQ HFG 2.23124
17 1WLE SRP 2.23124
18 5F7U GLC GLC 2.23124
19 3CV2 COA 2.23124
20 1OPB RET 2.23881
21 5LUN OGA 2.27273
22 2G30 ALA ALA PHE 2.32558
23 5T96 79J 2.33918
24 4RD0 GDP 2.40964
25 1T3D CYS 2.42215
26 3IAL PR8 2.43408
27 4L9I 8PR 2.43408
28 1GPM AMP 2.43408
29 4Y24 TD2 2.5974
30 1I7M CG 2.62172
31 3ERR AMP 2.63692
32 2X00 GYN 2.64317
33 4FE2 AIR 2.7451
34 4L77 CNL 2.76382
35 4ZTD ALA GLY ALA GLY ALA 2.7668
36 3OV6 MK0 2.77078
37 3MEH THP 2.7972
38 5YJS SAL 2.82051
39 3UDZ ADP 2.83976
40 1RYD GLC 2.84238
41 5H9Y BGC BGC BGC BGC 2.92793
42 1FDJ 13P 3.0303
43 3K8D CTP 3.0303
44 2J3M ATP 3.0426
45 2J3M PRI 3.0426
46 1X8X TYR 3.10559
47 5V59 8X1 3.15789
48 2RDE C2E 3.18725
49 4IAW LIZ 3.19149
50 5EO8 TFU 3.21543
51 5JJU AMP 3.23529
52 3JU6 ANP 3.24324
53 2ZTG A5A 3.24544
54 4DQ2 BTX 3.35366
55 2GQS C2R 3.37553
56 1VRP ADP 3.41207
57 5XIJ ANP 3.44828
58 5XIJ 873 3.44828
59 6FLZ MMA 3.47222
60 4J25 OGA 3.49345
61 1SDW IYT 3.50318
62 3KYG 5GP 5GP 3.52423
63 4WEI GLC GAL 3.61011
64 2OJW ADP 3.64583
65 1BW9 NAD 3.65169
66 2AG4 OLA 3.65854
67 3B6R ADP 3.67454
68 3QO8 SSA 3.71134
69 5DYO FLU 3.77358
70 5HWV MBN 3.84615
71 2I4O ATP 3.93013
72 4GLW NMN 3.93443
73 1OFL NGK GCD 3.9501
74 4B9E FAH 3.98671
75 4MDB RLT 4
76 2R09 4IP 4.03458
77 2R0D 4IP 4.03458
78 2V0U FMN 4.10959
79 5H2U 1N1 4.11985
80 4KSY 1SY 4.13223
81 2Y91 98J 4.15094
82 3A7R LAQ 4.1543
83 1U6R ADP 4.21053
84 1L6O SER LEU LYS LEU MET THR THR VAL 4.21053
85 5VAD 91Y 4.25963
86 5VAD PRO 4.25963
87 1P7T PYR 4.25963
88 5DXI TRE 4.30464
89 2OBM ADP 4.32277
90 4YRI 4JH 4.38596
91 3ACL 3F1 4.39189
92 5KJW 53C 4.44965
93 5F6U 5VK 4.4586
94 6E1Q CFA 4.46247
95 4RYV ZEA 4.51613
96 2D3N GLC GLC GLC 4.53608
97 5J75 6GQ 4.54545
98 2Z6D FMN 4.61538
99 5LXT GTP 4.65632
100 5L2R MLA 4.66531
101 3UH0 TSB 4.78261
102 3UEC ALA ARG TPO LYS 4.79452
103 5W75 SUC 4.84694
104 1B7Y FYA 5.14286
105 2E5A LAQ 5.18732
106 1SES AMP 5.22565
107 1SES AHX 5.22565
108 2XOM GAL GAL GAL 5.26316
109 1VPE 3PG 5.27638
110 1ZNY GDP 5.31401
111 3GD8 GOL 5.38117
112 1Y7P RIP 5.38117
113 2RHQ GAX 5.44218
114 2CJA ATP 5.47667
115 1WPY BTN 5.53191
116 2DXU BT5 5.53191
117 4Z3E GAL NGA GLA BGC GAL 5.55556
118 5CIC 51R 5.55556
119 3V8S 0HD 5.60976
120 5G48 1FL 5.61497
121 3KYF 5GP 5GP 5.62771
122 1LSH PLD 5.64263
123 2CJ9 SSA 5.67951
124 1I1E DM2 5.67951
125 3MF2 AMP 5.78035
126 4WCX MET 5.83333
127 5SVV FMN 5.83942
128 4AVV CD 5.88235
129 4AVV GHE 5.88235
130 4NS0 PIO 6.01504
131 3TEG DAH 6.0241
132 5FUI APY 6.06061
133 4KTP BGC 6.08519
134 4RKX 3S9 6.13027
135 5L83 ASP TRP GLU ILE VAL 6.25
136 4HIA FMN 6.25
137 3KJQ B94 6.31579
138 2QHS OCA 6.32911
139 3T4L ZEA 6.66667
140 2VDF OCT 6.71937
141 4YJK URA 6.74603
142 4OFJ HIS 6.76533
143 5XLY C2E 6.76692
144 2AGC DAO 6.79012
145 3QSB 743 6.8306
146 5DKK FMN 6.89655
147 2QX0 PH2 6.91824
148 4EES FMN 6.95652
149 12AS AMP 6.9697
150 1MFI FHC 7.01754
151 5C5T AKG 7.01754
152 5WL1 CUY 7.07071
153 5WL1 D3D 7.07071
154 2QHV OC9 7.14286
155 1A5Z FBP 7.21003
156 2ART LPA AMP 7.25191
157 5EJL C2E 7.25806
158 3SAO DBH 7.5
159 5Y4R C2E 7.58621
160 4D4U FUC GAL NDG FUC 7.61905
161 2Z3U CRR 7.76471
162 6DZN AE3 7.9646
163 5WHT SIA GAL GLC 7.97101
164 5WHT SIA GAL 7.97101
165 4K55 H6P 8.06452
166 4MOB ADP 8.13253
167 6GNO XDI 8.14815
168 4XTX 590 8.14815
169 1F5F DHT 8.29268
170 5EW9 5VC 8.48709
171 2YKL NLD 8.49057
172 4KAX 4IP 8.69565
173 5H9P TD2 8.86076
174 3WIR BGC 8.92495
175 4RHS SIA SIA GAL 9.01639
176 6FA4 D1W 9.24856
177 3EFS BTN 9.44206
178 3RF4 FUN 9.48276
179 1KDK DHT 9.60452
180 4H2X G5A 9.70874
181 4H2W AMP 9.70874
182 4H2W 5GP 9.70874
183 2QS8 MET 9.80861
184 5LHT TIH 9.86395
185 4H2V AMP 10
186 1N9L FMN 10.0917
187 3QXV MTX 10.3175
188 1QH5 GSH 10.3846
189 1QH5 GBP 10.3846
190 1QKQ MAN 10.5634
191 3VPB GLU 10.6383
192 4R38 RBF 10.7143
193 1FHX 4IP 10.8527
194 4RF7 ARG 10.9533
195 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 11.1702
196 1RJW ETF 11.5044
197 4IEN GDP 11.6564
198 5EFW FMN 11.6667
199 4F8L AES 11.7241
200 3HCH RSM 12.3288
201 2BVE PH5 13.4454
202 3P7N FMN 13.5659
203 4RT1 C2E 14.2857
204 2BOS GLA GAL GLC 14.7059
205 2BOS GLA GAL 14.7059
206 4WUJ FMN 14.966
207 3H0L ADP 15.9574
208 3REU ATP 20.068
209 2PR5 FMN 21.2121
210 4F4S EFO 22.3684
211 4CS4 AXZ 22.6277
212 4CS4 ANP 22.6277
213 1G51 AMO 23.3266
214 3IWD M2T 30.6452
215 2XGT NSS 32.6437
216 1X54 4AD 47.4654
Pocket No.: 2; Query (leader) PDB : 3E9I; Ligand: XAH; Similar sites found with APoc: 36
This union binding pocket(no: 2) in the query (biounit: 3e9i.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1JQN DCO 1.41988
2 4BTV RB3 1.74419
3 5AB1 BCD TA5 HP6 MAN 2
4 6DW2 HD4 2.1097
5 3A16 PXO 2.14477
6 5VM6 9EG 2.18978
7 5AHN IMP 2.24949
8 3QX9 ATP 2.89855
9 3GLC R5P 3.05085
10 4GCZ FMN 3.11688
11 4QAC KK3 3.22581
12 4DE2 DN3 3.42205
13 4V15 PLP 3.43008
14 3ZW2 NAG GAL FUC 3.44828
15 5MRH Q9Z 3.44828
16 5TV6 PML 4.16667
17 5FWJ MMK 4.24628
18 4KBA 1QM 4.83384
19 3NZ1 3NY 4.98084
20 5GOP FRU 4.98915
21 5GOO FRU 4.98915
22 1UQX MMA 6.19469
23 6EWZ APC 6.32911
24 4D52 GIV 7.61905
25 4D52 GXL 7.61905
26 3G08 FEE 8.08081
27 1RZX ACE VAL LYS GLU SER LEU VAL 8.16327
28 6GW4 CHO 8.46906
29 4L80 OXL 9.48276
30 3CBC DBS 10.101
31 5TVF CGQ 11.7647
32 4L9Z OXL 11.7994
33 2WR9 MAN MAN 13.2812
34 2Z6C FMN 15.5039
35 1GT4 UNA 18.239
36 4QPW XYP XYP XYP 35.9155
Pocket No.: 3; Query (leader) PDB : 3E9I; Ligand: XAH; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 3e9i.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1K0E TRP 1.98676
2 1WKM MET 2.0339
3 3IT7 TLA 2.1978
4 1W96 S1A 2.63692
5 5ZRR 9J3 2.64151
6 1UYY BGC BGC 3.05344
7 2DPY ADP 3.42466
8 2GK6 ADP 3.44828
9 3K0T BGC 3.4965
10 5JSP DQY 3.9801
11 5T8U LPA 4.72222
12 4QYN RTL 6.01504
13 4D4U FUC GAL NAG 7.61905
14 5OCG 9R5 8.46561
15 2EFE GNH 8.61423
Pocket No.: 4; Query (leader) PDB : 3E9I; Ligand: XAH; Similar sites found with APoc: 41
This union binding pocket(no: 4) in the query (biounit: 3e9i.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4PQG NAG 1.62272
2 2WKQ FMN 1.80723
3 1VJ7 GPX 2.03562
4 1MXG ACR 2.06897
5 4NRT 2NG 2.43408
6 2YFT DQR 2.83976
7 4TQ3 GPP 2.9703
8 2JK0 ASP 3.07692
9 2E0N SAH 3.0888
10 2RIO ADP 3.22581
11 4C2C ALA ALA ALA 3.36323
12 1WD4 AHR 3.52697
13 3TY3 GGG 3.55191
14 4NOS ITU 3.74707
15 3WUD GLC GAL 4.41176
16 2QK4 ATP 4.42478
17 6FOG OXL 4.46429
18 1SLT NDG GAL 4.47761
19 5H9Q TD2 4.51613
20 2PEL LBT 4.66102
21 5DJT FMN 4.91803
22 6MJ7 ARG 5.45455
23 3PE2 E1B 5.63798
24 3ZO7 K6H 6.38298
25 1A78 TDG 6.71642
26 3DWQ NGC GAL NGA POL AZI 7.14286
27 4KBB BGC GAL SIA NGA GAL SIA 7.35294
28 2QL9 CIT 8.24742
29 1XX6 ADP 8.37696
30 2JC9 ADN 9.33063
31 2QPU QPS 9.38272
32 2QPU QPU 9.38272
33 1VBH PEP 9.53347
34 5ODY 9SK 10.1449
35 1M5W DXP 10.2881
36 3WG3 A2G GAL NAG FUC 10.6742
37 1B0U ATP 10.687
38 4V1F BQ1 12.7907
39 5D9G GLU ASN LEU TYR PHE GLN 14.2276
40 2WCU FUC 14.7651
41 5VNF VAL THR SER VAL VAL 16.5605
APoc FAQ
Feedback