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Receptor
PDB id Resolution Class Description Source Keywords
5KOD 2.2 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF GH3.5 ACYL ACID AMIDO SYNTHETASE FROM A THALIANA ARABIDOPSIS THALIANA ANL ADENYLATING ENZYME ACYL ACID AMIDO SYNTHETASE ADENYLALIGASE LIGASE
Ref.: ARABIDOPSIS THALIANA GH3.5 ACYL ACID AMIDO SYNTHETA MEDIATES METABOLIC CROSSTALK IN AUXIN AND SALICYLIC HOMEOSTASIS. PROC. NATL. ACAD. SCI. V. 113 13917 2016 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IAC C:702;
A:702;
D:702;
B:702;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
175.184 C10 H9 N O2 c1ccc...
AMP B:701;
C:701;
D:701;
A:701;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
SO4 B:704;
B:703;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KOD 2.2 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF GH3.5 ACYL ACID AMIDO SYNTHETASE FROM A THALIANA ARABIDOPSIS THALIANA ANL ADENYLATING ENZYME ACYL ACID AMIDO SYNTHETASE ADENYLALIGASE LIGASE
Ref.: ARABIDOPSIS THALIANA GH3.5 ACYL ACID AMIDO SYNTHETA MEDIATES METABOLIC CROSSTALK IN AUXIN AND SALICYLIC HOMEOSTASIS. PROC. NATL. ACAD. SCI. V. 113 13917 2016 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 5KOD - AMP C10 H14 N5 O7 P 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 1039 families.
1 4B2G - V1N C19 H21 N6 O7 P c1ccc2c(c1....
2 4EPL - JAI C18 H29 N O4 CC/C=CC[C@....
3 5KOD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 6E1Q - CFA C8 H6 Cl2 O3 c1cc(c(cc1....
5 4EQL - SAL C7 H6 O3 c1ccc(c(c1....
6 4EPM - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 4EQ4 - SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IAC; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 IAC 1 1
2 TSR 0.714286 0.676471
3 ITW 0.680851 0.806452
4 IAG 0.66 0.658537
5 IOP 0.617021 0.964286
6 IAD 0.589286 0.658537
7 3IB 0.58 0.931035
8 IAV 0.561404 0.658537
9 3IL 0.54902 0.870968
10 4Z9 0.54902 0.870968
11 9BF 0.54 0.65625
12 DTR 0.538462 0.787879
13 TRP 0.538462 0.787879
14 2SX 0.509804 0.870968
15 MYI 0.481481 0.794118
16 ICO 0.458333 0.758621
17 TR7 0.448276 0.694444
18 R59 0.424242 0.604651
19 R38 0.424242 0.604651
Ligand no: 2; Ligand: AMP; Similar ligands found: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KOD; Ligand: AMP; Similar sites found with APoc: 56
This union binding pocket(no: 1) in the query (biounit: 5kod.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4GR5 APC 1.22807
2 5OE4 3UK 1.2285
3 3KXW 1ZZ 1.35593
4 4FUT ATP 1.39165
5 5IE3 AMP 1.55642
6 5IE3 OXD 1.55642
7 4GXQ ATP 1.58103
8 5JH2 A2P 1.6129
9 5X8G S0N 1.64948
10 5FWE OGA 1.83727
11 5LY2 OGA 1.83727
12 4RLQ 3SK 2.31214
13 3AVR OGA 2.44821
14 5MST FUM 2.45098
15 5MST AMP 2.45098
16 1QMG APX 2.48092
17 1V25 ANP 2.5878
18 3FXU TSU 2.62295
19 3IES M24 2.90381
20 3DHV DAL AMP 2.92969
21 4WJT NAG 2.99401
22 5C5H 4YB 3.09051
23 2Y4O DLL 3.16027
24 3NYQ AMP 3.16832
25 3NYQ MCA 3.16832
26 1RY2 AMP 3.26797
27 4DG8 AMP 3.43137
28 4D57 ARG AMP 3.4904
29 3C5E ATP 3.68421
30 3CW9 AMP 3.96825
31 4OXI GAP 3.99306
32 5N9X ATP 4.15879
33 5N9X 8QN 4.15879
34 2D1S SLU 4.19708
35 1PG4 COA 4.57516
36 1PG4 PRX 4.57516
37 5EY9 5SV 4.73856
38 4R0M FA5 4.90196
39 1AMU AMP 4.97336
40 5HM3 649 5.06536
41 4MPO AMP 5.22876
42 5WM2 AMP 5.31915
43 5WM2 SAL 5.31915
44 5N81 8Q2 5.38642
45 3CL5 SIO 5.57029
46 1RZM E4P 5.6213
47 2XVL PXN 6.20915
48 4OEV OXL 6.88259
49 5BSR COA 7.56458
50 5BSR AMP 7.56458
51 5D6J ATP 8.10811
52 3O84 HTJ 9.19118
53 5MSD BEZ 9.31373
54 5MSD AMP 9.31373
55 2XHK AKG 11.2613
56 1TH8 ADP 13.7931
Pocket No.: 2; Query (leader) PDB : 5KOD; Ligand: IAC; Similar sites found with APoc: 101
This union binding pocket(no: 2) in the query (biounit: 5kod.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5UTQ OAN 1.42857
2 4GU5 FAD 1.85529
3 4YNU FAD 1.92644
4 6GK6 MYR 1.94647
5 3KA2 2NC 1.97044
6 3FSM 2NC 1.97044
7 2H7C COA 2.21402
8 2D09 FLV 2.457
9 5JFL NAD 2.48092
10 3EYA TDP 2.55009
11 1RKD ADP 2.589
12 1RKD RIB 2.589
13 5N7O 69Y 2.71493
14 3RNM FAD 2.82828
15 4W6Z 8ID 2.88184
16 5JM8 ATP 2.95139
17 3ABA FLI 2.97767
18 1WDK N8E 3.07692
19 5UC9 MYR 3.09735
20 5NDF LU2 3.15236
21 1SC6 NAD 3.21782
22 1JQ5 NAD 3.24324
23 1PK8 ATP 3.31754
24 3V49 PK0 3.38346
25 2Z3U CRR 3.52941
26 1T36 ADP 3.66492
27 5HGR 45D 3.69231
28 4K2G 1OQ 3.84615
29 5HCV 60R 3.89105
30 1YUC EPH 3.92157
31 4YFB PAC 3.93258
32 1YKD CMP 4.0201
33 5H5A 6OU 4.16667
34 4D5G FAD 4.24448
35 2QZO KN1 4.26357
36 4MG7 27H 4.31373
37 4MG8 27J 4.31373
38 4TUZ 36J 4.31373
39 4MGB XDH 4.31373
40 2BJ4 OHT 4.36508
41 1MO9 FAD 4.39771
42 2QE4 JJ3 4.43548
43 1CX9 NHP 4.47761
44 5KBZ 3B2 4.50928
45 4WQ2 3SU 4.62428
46 1J0D 5PA 4.69208
47 3G4Q MCH 4.79452
48 2OWZ CIT 4.81928
49 1Q23 FUA 5.02283
50 4IY7 KOU 5.03778
51 2V2V V12 5.53506
52 2IV3 UDP 5.55556
53 6GG9 FMN 5.55556
54 5DOZ NDP 5.6213
55 4HIA FMN 5.68182
56 5W10 CMP 6.15385
57 6HOY TSN 6.29139
58 3EWK FAD 6.60793
59 1PZL MYR 6.75105
60 4XRZ SI6 6.88935
61 1IDA 0PO 7.07071
62 3IS2 FAD 7.14286
63 3D72 FAD 7.38255
64 4DOL PLM 7.8341
65 1YP0 PEF 7.94979
66 2QJY SMA 8.02139
67 2Z6C FMN 8.52713
68 6F8B CXH 8.63787
69 1FWM CB3 8.71212
70 2GJ3 FAD 9.16667
71 5N2D 8J8 9.72222
72 2Q8Y GLN TYR PHE MET TPO GLU PTR VAL ALA 9.95851
73 5FFF 5XC 10.1167
74 1DUV PSQ 10.2102
75 4YGF AZM 10.2564
76 5NI5 8YB 10.4167
77 3WBG 2AN 10.4575
78 4M8E 29V 11.2554
79 2I0G I0G 11.284
80 1NWW HPN 11.4094
81 4EU7 COA 11.6732
82 4EU7 CIT 11.6732
83 1U3R 338 12.0332
84 3OLL EST 12.0833
85 2YJD YJD 12.0833
86 1G3Q ADP 13.0802
87 2B3D FAD 14.2157
88 3ORF NAD 14.3426
89 1TW4 CHD 14.4
90 2GBB CIT 14.7436
91 3QWI NAP 14.8148
92 3QWI CUE 14.8148
93 2DYR TGL 16.3265
94 2DYS TGL 16.3265
95 5Z84 TGL 16.3265
96 4TMN 0PK 18.038
97 3CXH SMA 18.4615
98 3RYC GTP 18.8811
99 4BTI 7R9 21.875
100 3SAO NKN 23.125
101 1ZDT PEF 33.3333
Pocket No.: 3; Query (leader) PDB : 5KOD; Ligand: AMP; Similar sites found with APoc: 7
This union binding pocket(no: 3) in the query (biounit: 5kod.bio4) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4CCK OGA 4.49679
2 2BGS NDP 4.65116
3 5AZ1 NDP 6.51558
4 1RDL MMA 8.84956
5 5EW9 5VC 9.22509
6 4DS0 A2G GAL NAG FUC 11.0429
7 2BNF UTP 16.5975
Pocket No.: 4; Query (leader) PDB : 5KOD; Ligand: IAC; Similar sites found with APoc: 121
This union binding pocket(no: 4) in the query (biounit: 5kod.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4C3Y ANB 0.943396
2 5GUD NDP 1.06157
3 5GUD 2IT 1.06157
4 4D9C PMP 1.46199
5 1LLU NAD 1.46199
6 5B4T NAD 1.53846
7 5B4T 3HR 1.53846
8 2RH1 CLR 1.6
9 6EJI UD2 1.60858
10 3JUQ AKD 1.62162
11 3JUQ AJD 1.62162
12 5WP5 SAH 1.83299
13 4R6W SAH 1.93798
14 4AMV F6R 2.13465
15 1U3U NAD 2.13904
16 1U3U BNF 2.13904
17 2JHF NAD 2.13904
18 3UIM ANP 2.14724
19 4D9M 0JO 2.26131
20 2DT9 THR 2.39521
21 5U3B 7TD 2.67559
22 1GEG NAD 2.73438
23 1QFT HSM 2.85714
24 4LUT DCS 2.85714
25 1Z41 FMN 2.95858
26 2HI4 BHF 3.0303
27 1J78 VDY 3.05677
28 2AAZ CB3 3.15457
29 1G0N PHH 3.18021
30 1G0N NDP 3.18021
31 5GWT NAD 3.23741
32 2F99 AKV 3.26797
33 1EDO NAP 3.27869
34 1VL8 NAP 3.37079
35 4J7U YTZ 3.47222
36 4J7U NAP 3.47222
37 2AX9 BHM 3.51562
38 1XVB BHL 3.52941
39 1MOQ GLP 3.53261
40 3WXB NDP 3.58423
41 2EWM NAD 3.61446
42 3LA3 2FT 3.7037
43 1M1B SPV 3.72881
44 3UG4 AHR 3.76984
45 2DC1 NAD 3.81356
46 1UPA TPP 3.83944
47 3O26 NDP 3.85852
48 2X61 CH 3.87597
49 4OJ8 AKG 4.09556
50 1PVN MZP 4.25532
51 2ZJ3 G6P 4.26667
52 1NX4 AKG 4.3956
53 3G9E RO7 4.42804
54 1UOU CMU 4.43038
55 4Q5M ROC 4.4335
56 4IMG NGF 4.43686
57 5HGZ ACO 4.52675
58 5XXM LGC 4.57516
59 1HG4 LPP 4.6595
60 4M26 SIN 4.67033
61 4M26 ZZU 4.67033
62 5KZV HCD 4.72441
63 5L7G 6QE 4.91803
64 4W97 UCA 5
65 2Q2V NAD 5.09804
66 3TWO NDP 5.17241
67 1VQ2 DDN 5.18135
68 1G2N EPH 5.30303
69 2R40 EPH 5.32319
70 2BCG GER 5.33981
71 2NNQ T4B 5.34351
72 1ION ADP 5.34979
73 2FZW NAD 5.36193
74 1YBQ BDH 5.38462
75 5EJ2 NAD 5.51948
76 6CR2 LFV 5.66038
77 1T0I FMN 5.75916
78 4LNU GTP 5.8427
79 5EIB GTP 5.8427
80 1JA9 NDP 6.20438
81 3BF1 ADP 6.4257
82 3BF1 PAU 6.4257
83 2POC BG6 6.81199
84 5OJI ISN 6.92308
85 4MO4 ACP 7.00809
86 3N39 FMN 7.18954
87 1OIJ AKG 7.6412
88 3D3W NAP 8.19672
89 1PR9 NAP 8.19672
90 2F1K NAP 8.24373
91 4IDC NDP 8.43373
92 4IDC 1XX 8.43373
93 2DKN NAI 8.62745
94 5UR6 8KM 8.83978
95 5B0I BOG 9.0379
96 4WZA ACP 9.05797
97 4WZA ADP 9.05797
98 5E2N V14 9.5057
99 1PNO NAP 10
100 1LSS NAD 10
101 2P3C 3TL 10.101
102 4YHQ G10 10.101
103 3ZLR X0B 10.1266
104 4RPO T6C 10.3139
105 1ME8 RVP 10.7356
106 1RDT L79 10.7438
107 4NBU NAI 10.8
108 1FM9 9CR 10.9244
109 6ESN BWE 11.236
110 2XHK AKG 11.2613
111 2XKO AKG 11.2613
112 4XXH T6P 11.7647
113 5HZ9 5M8 11.8519
114 4H07 IPH 12.3377
115 5HA0 LTD 13.4615
116 2P3B 3TL 14.1414
117 6C8X BVR 14.1414
118 1NFS DED 15.3005
119 3AFN NAP 18.9922
120 5TDU PCR 26.2136
121 3S0E EOL 29.4118
Pocket No.: 5; Query (leader) PDB : 5KOD; Ligand: AMP; Similar sites found with APoc: 8
This union binding pocket(no: 5) in the query (biounit: 5kod.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1YNS HPO 2.68199
2 4ZVV GN0 2.71084
3 4ZVV NAD 2.71084
4 1TDF FAD 3.16456
5 1SVK ALF GDP 4.24929
6 5X20 AOT 5.44872
7 5O0X FAD 5.49828
8 2GCG DGY 6.66667
Pocket No.: 6; Query (leader) PDB : 5KOD; Ligand: IAC; Similar sites found with APoc: 26
This union binding pocket(no: 6) in the query (biounit: 5kod.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2WTX UDP 1.05485
2 1T7Q COA 1.47059
3 1T7Q 152 1.47059
4 5FJN FAD 1.75439
5 1QM5 PLP 2.28758
6 3JQB DX6 2.43056
7 2VJ8 HA2 2.61866
8 5BO9 SIA GAL NGS 2.78638
9 1H5T DAU 3.07167
10 5C5H 4YB 3.09051
11 5AVF TAU 3.50195
12 4PIO AVI 4.33437
13 4PIO SAH 4.33437
14 1M5B BN1 4.56274
15 3R5Y F42 4.7619
16 2CJF RP4 5.09554
17 5EI3 5O8 5.99078
18 1P3D UMA 6.10526
19 4F97 VDO 6.23742
20 1F8Y 5MD 6.36943
21 5LYR MAN MNM 6.49351
22 4MNS 2AX 6.91824
23 4K38 SAM 8.64865
24 3BEO UD1 9.33333
25 5JAX 6J7 11.1111
26 4K39 SAM 27.7778
Pocket No.: 7; Query (leader) PDB : 5KOD; Ligand: IAC; Similar sites found with APoc: 54
This union binding pocket(no: 7) in the query (biounit: 5kod.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2WTX VDO 1.05485
2 5FI3 NAP 1.68067
3 4Y30 SAH 1.9943
4 4W4S B29 2
5 3VPC ADP 2.12766
6 6ET8 BWH 2.25225
7 2J8Z NAP 2.25989
8 3V1V GST 2.30947
9 3ZCN ATP 2.38095
10 2Q4H AMP 2.5641
11 1ZPD CIT 2.8169
12 1Z48 FMN 2.95858
13 4WAS COO 3.02198
14 5NDF UDP 3.15236
15 3AI3 SOE 3.42205
16 5VW2 FDA 3.48101
17 5VW2 NAP 3.48101
18 4B52 RDF 3.61842
19 4O67 1SY 4.13223
20 3SJU NDP 4.30108
21 2P4Y C03 4.33213
22 5SVV FMN 4.37956
23 3WLE NAD 4.39883
24 5KOK R9T 4.57516
25 3RGA ILD 4.59364
26 2C3Q GTX 4.8583
27 2II3 CAO 4.96183
28 5O4J 9KH 5.47445
29 5O4J SAH 5.47445
30 4HA6 FAD 5.51181
31 6BR8 6OU 5.55556
32 1N20 3AG 5.64663
33 2E9L OLA 6.60981
34 5U3F 7TS 7.33696
35 3GST GPR 7.37327
36 1UVC STE 7.69231
37 5NTW 98N 7.7821
38 5D85 P1T 8.58896
39 5V13 JH3 8.68056
40 4FHT DHB 8.9172
41 5Z1N PEF 8.92857
42 2QQ0 TMP 9.23913
43 2QQ0 ADP 9.23913
44 1K7L 544 9.52381
45 3LSJ PLM COA 9.54545
46 1FM9 570 10.9244
47 4POJ 2VP 11.2554
48 5APK 76E 11.3208
49 3H0A 9RA 11.4035
50 3H0A D30 11.4035
51 1GHE ACO 13.5593
52 5LWY OLB 15.126
53 2FTB OLA 17.6
54 5LXT GTP 18.8811
Pocket No.: 8; Query (leader) PDB : 5KOD; Ligand: AMP; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 5kod.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5GQX GLC GLC GLC GLC 1.63399
2 5Z74 SUC 2.407
3 6G5Q EMZ 3.50877
4 4CCN OGA 4.49679
5 4BXF AKG 7.69231
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