Receptor
PDB id Resolution Class Description Source Keywords
1KHT 2.5 Å EC: 2.7.4.3 ADENYLATE KINASE FROM METHANOCOCCUS VOLTAE METHANOCOCCUS VOLTAE KINASE PHOSPHOTRANSFERASE SIGNALING PROTEIN TRANSFERASE
Ref.: STRUCTURES OF THERMOPHILIC AND MESOPHILIC ADENYLATE FROM THE GENUS METHANOCOCCUS J.MOL.BIOL. V. 330 1087 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP B:2193;
C:3193;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KHT 2.5 Å EC: 2.7.4.3 ADENYLATE KINASE FROM METHANOCOCCUS VOLTAE METHANOCOCCUS VOLTAE KINASE PHOSPHOTRANSFERASE SIGNALING PROTEIN TRANSFERASE
Ref.: STRUCTURES OF THERMOPHILIC AND MESOPHILIC ADENYLATE FROM THE GENUS METHANOCOCCUS J.MOL.BIOL. V. 330 1087 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1KHT - 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 9 families.
1 3H86 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 1KHT - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3H86 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 1KHT - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 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 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KHT; Ligand: AMP; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 1kht.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CEO 50D 0.01333 0.40816 3.125
2 2V73 SIA 0.01135 0.41043 3.14136
3 4CLI 5P8 0.04651 0.40732 3.64583
4 1R37 NAD 0.04112 0.40375 4.16667
5 3DLS ADP 0.01263 0.40524 4.6875
6 2BIF SIN 0.03106 0.41687 5.72917
7 2BIF ANP 0.02496 0.41312 5.72917
8 4EHQ GBL 0.003478 0.42374 6.08108
9 2H92 C5P 0.0001681 0.45168 7.8125
Pocket No.: 2; Query (leader) PDB : 1KHT; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1kht.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KHT; Ligand: AMP; Similar sites found: 282
This union binding pocket(no: 3) in the query (biounit: 1kht.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.00007419 0.54746 None
2 3SJ0 DXC 0.001371 0.44242 None
3 2YLD CMO 0.0009343 0.44215 None
4 1P9B HDA 0.0007003 0.44025 None
5 2VKL MLT 0.005893 0.43743 None
6 2C4I BTN 0.00003413 0.43518 None
7 2Q37 3AL 0.00124 0.43012 None
8 1XX4 BAM 0.005609 0.42997 None
9 4A6F SEP 0.008819 0.42861 None
10 1PTR PRB 0.003421 0.4249 None
11 1Y75 NAG 0.0009517 0.42229 None
12 2ZE3 AKG 0.002024 0.42142 None
13 1G8S MET 0.003603 0.41728 None
14 2ALG DAO 0.003378 0.41232 None
15 1LNX URI 0.002475 0.41196 None
16 3B8I OXL 0.02187 0.40866 None
17 1POC GEL 0.0003005 0.40351 None
18 1Y13 BIO 0.001726 0.40311 None
19 2WCV FUC 0.003211 0.40217 None
20 4F4S EFO 0.004496 0.40173 None
21 4Q3F TLA 0.008565 0.40129 None
22 2FPU HSO 0.0004539 0.40055 None
23 3UBW 6SP 0.002093 0.49267 1.04167
24 4F8L GAL 0.00002987 0.56833 1.37931
25 2VQ5 HBA 0.001011 0.44826 1.5625
26 1Z42 HBA 0.01096 0.43477 1.5625
27 1LYX PGA 0.0001604 0.42183 1.5625
28 2VQ5 LDP 0.008883 0.42036 1.5625
29 2Q3M MLA 0.009195 0.41964 1.5625
30 1Z44 NPO 0.02703 0.41188 1.5625
31 1QZZ SAM 0.0007809 0.40248 1.5625
32 1YFZ IMP 0.006429 0.40088 1.5625
33 1WGC SIA GAL BGC 0.008938 0.42831 1.75439
34 1UUY PPI 0.02151 0.40181 1.79641
35 3O03 GCO 0.00209 0.45056 2.06186
36 4B7E OGA 0.0008371 0.43708 2.08333
37 3P3N AKG 0.001711 0.431 2.08333
38 2XUM OGA 0.00233 0.42531 2.08333
39 2Y0I AKG 0.001754 0.42396 2.08333
40 4LIT AKG 0.003694 0.41073 2.08333
41 3PMA SCR 0.003445 0.40629 2.08333
42 4OB6 S2T 0.0003513 0.4038 2.08333
43 3QDT A2G GAL 0.0002718 0.48274 2.0979
44 3QDW NDG 0.001638 0.43901 2.0979
45 3QDY CBS 0.001699 0.43831 2.0979
46 3QDV NDG 0.002078 0.43445 2.0979
47 3QDW A2G 0.01027 0.41734 2.0979
48 3QDV A2G 0.01548 0.40873 2.0979
49 3QDY A2G GAL 0.01222 0.40675 2.0979
50 3QDX A2G GAL 0.0002032 0.40096 2.0979
51 1C1L GAL BGC 0.008089 0.40839 2.18978
52 3DAG FEG 0.001108 0.44606 2.60417
53 3U1T MLI 0.002055 0.43467 2.60417
54 2BLE 5GP 0.01558 0.42746 2.60417
55 3E4O SIN 0.0003687 0.42257 2.60417
56 4DQ2 BTX 0.005552 0.42129 2.60417
57 1XE7 GUN 0.009117 0.41982 2.60417
58 4F2Q QUS 0.0002117 0.41902 2.60417
59 3FW3 GLC 0.02304 0.40775 2.60417
60 1II5 GLU 0.005453 0.40381 2.60417
61 3UEC ALA ARG TPO LYS 0.004644 0.41904 2.73973
62 1JAC AMG 0.003227 0.4506 3.00752
63 3I7S PYR 0.000163 0.49294 3.125
64 3VPD CIT 0.0007445 0.48262 3.125
65 2JFV FLC 0.0008975 0.44289 3.125
66 3VPD BUA 0.01329 0.43413 3.125
67 3HZL 6PC 0.005036 0.43222 3.125
68 1QH9 LAC 0.001703 0.43109 3.125
69 1V6A TRE 0.001645 0.4251 3.125
70 3P0F BAU 0.0001102 0.41947 3.125
71 2PYU IMP 0.002325 0.41895 3.125
72 3UDG TMP 0.01025 0.41737 3.125
73 2QGI UDP 0.003011 0.41436 3.125
74 1H16 PYR 0.009034 0.41279 3.125
75 1XHL NDP 0.01264 0.40988 3.125
76 1H8G CHT 0.000762 0.49403 3.15789
77 4N7U 2JA 0.006285 0.4276 3.15789
78 1Y1A GSH 0.001469 0.47976 3.27869
79 2D37 FMN 0.01183 0.40475 3.40909
80 2D37 NAD 0.01274 0.40475 3.40909
81 5RHN 8BR 0.0001041 0.42154 3.47826
82 3CL5 SIO 0.001181 0.44528 3.64583
83 2B7N NTM 0.001491 0.42684 3.64583
84 2H6B 3C4 0.01459 0.42604 3.64583
85 1WRA PC 0.003537 0.42426 3.64583
86 1H9G COA MYR 0.00406 0.42416 3.64583
87 1KTC NGA 0.001865 0.41681 3.64583
88 1PEA ACM 0.008341 0.41439 3.64583
89 1KBJ FMN 0.007886 0.41067 3.64583
90 2F2U M77 0.0009166 0.40997 3.64583
91 1QO0 BMD 0.005495 0.40949 3.64583
92 1VBH PEP 0.004679 0.40653 3.64583
93 1H8P PC 0.0008866 0.46844 3.66972
94 4O8A 2OP 0.004548 0.43435 4.07569
95 3IHB TRS 0.0006969 0.47321 4.16667
96 2EB5 OXL 0.0005435 0.45212 4.16667
97 4GYW UDP 0.002378 0.44089 4.16667
98 4R33 TRP 0.004717 0.42942 4.16667
99 4R33 SAH 0.004717 0.42942 4.16667
100 1E7S NAP 0.005038 0.42697 4.16667
101 5EQU AKG 0.00623 0.42023 4.16667
102 2NZU BG6 0.002168 0.41422 4.16667
103 3TFC PEP 0.002461 0.41206 4.16667
104 3IHB GLU 0.008377 0.40772 4.16667
105 4EPL JAI 0.0003766 0.40759 4.16667
106 5CX8 TG6 0.03517 0.40717 4.16667
107 1Y42 TYR 0.003439 0.40632 4.16667
108 2OHV NHL 0.002655 0.40532 4.16667
109 1R37 ETX 0.0007502 0.4048 4.16667
110 1ZZ7 S0H 0.004578 0.40142 4.16667
111 3S9K CIT 0.04201 0.40388 4.23729
112 2FWP ICR 0.0064 0.42604 4.37158
113 2FWP CIT 0.009822 0.41337 4.37158
114 2BZ1 TAU 0.0003008 0.51536 4.6875
115 2Q8H TF4 0.001294 0.46056 4.6875
116 2VDJ HSE 0.0009728 0.45731 4.6875
117 1X54 4AD 0.001027 0.44574 4.6875
118 1HQL GLA MBG 0.001271 0.44387 4.6875
119 2P69 PLP 0.001219 0.43041 4.6875
120 3KJI ADP 0.001331 0.42721 4.6875
121 2ZJ3 G6P 0.00343 0.41712 4.6875
122 1P9P SAH 0.00477 0.41491 4.6875
123 3UH0 TSB 0.005599 0.41373 4.6875
124 3WCS MAN NAG 0.003427 0.40638 4.6875
125 4W6Z ETF 0.01777 0.40583 4.6875
126 2W3L DRO 0.01425 0.41046 4.86111
127 2WOR 2AN 0.005781 0.40855 5
128 1JGS SAL 0.0002347 0.52105 5.07246
129 2WQP WQP 0.006191 0.41651 5.15759
130 2W8Q SIN 0.002336 0.43221 5.20833
131 2FGQ MLT 0.00217 0.42663 5.20833
132 3BRE C2E 0.003094 0.42009 5.20833
133 4M2K PLP 0.001311 0.417 5.20833
134 2CW6 3HG 0.0155 0.40871 5.20833
135 2Y7P SAL 0.003006 0.40863 5.20833
136 1R6W 164 0.0002983 0.40737 5.20833
137 2HXT EHM 0.0005386 0.40665 5.20833
138 1UOU CMU 0.0006388 0.40428 5.20833
139 4G1V FAD 0.01351 0.40368 5.20833
140 2XBP ATP 0.03156 0.40522 5.30973
141 1ECM TSA 0.0009304 0.42267 5.50459
142 2QLX RM4 0.002894 0.42811 5.55556
143 2OFE NAG 0.002102 0.42721 5.6338
144 3ZPG 5GP 0.0005372 0.47887 5.72917
145 3MAG 3MA 0.001821 0.46309 5.72917
146 9LDB OXM 0.002361 0.45743 5.72917
147 2J0W ASP 0.0007154 0.45488 5.72917
148 4N02 FNR 0.004248 0.44894 5.72917
149 4USQ FAD 0.002127 0.44549 5.72917
150 4B16 NAG 0.006038 0.4369 5.72917
151 1QDS PGA 0.000306 0.43058 5.72917
152 9LDT OXM 0.01053 0.42472 5.72917
153 2C31 TZD 0.03012 0.42051 5.72917
154 1DXY COI 0.009147 0.41975 5.72917
155 1O68 KIV 0.001948 0.41606 5.72917
156 3MCT 3MC 0.002162 0.41427 5.72917
157 3BHO B4P 0.01711 0.41405 5.72917
158 2C31 ADP 0.04013 0.41405 5.72917
159 3CEV ARG 0.002359 0.40728 5.72917
160 3GTD MLI 0.005778 0.40278 5.72917
161 2R00 OEG 0.01207 0.40069 5.72917
162 1Y7P RIP 0.00285 0.43586 5.8296
163 1SS4 CIT 0.002219 0.47608 5.88235
164 1SS4 GSH 0.004983 0.45834 5.88235
165 3PMD 11A 0.0002736 0.43256 5.88235
166 4FGC PQ0 0.0008836 0.43612 6.06061
167 2DTJ THR 0.001722 0.40525 6.17978
168 2BOI MFU 0.004646 0.40116 6.19469
169 4RJK PYR 0.0005706 0.46795 6.25
170 3QV9 QV7 0.0005168 0.44564 6.25
171 1RYD GLC 0.003001 0.42065 6.25
172 2V7T SAH 0.04625 0.41771 6.25
173 3F81 STT 0.006764 0.42606 6.55738
174 1RYI GOA 0.0005918 0.50273 6.77083
175 4M5P MLA 0.001462 0.46788 6.77083
176 1A59 CIT 0.000576 0.45903 6.77083
177 4WBD CIT 0.00185 0.44448 6.77083
178 3CBG FER 0.003652 0.43893 6.77083
179 3CBG 4FE 0.005908 0.43738 6.77083
180 4M5P 23W 0.002773 0.4364 6.77083
181 4WBD ADP 0.00261 0.43009 6.77083
182 3PNL ADP 0.002129 0.42922 6.77083
183 1GAD NAD 0.003388 0.42744 6.77083
184 4M51 BEZ 0.01247 0.40634 6.77083
185 1NX4 AKG 0.005323 0.40424 6.77083
186 1SQ5 PAU 0.0004401 0.44153 6.81818
187 3JQ3 ADP 0.000236 0.43512 6.8306
188 3R51 MMA 0.00616 0.42802 6.875
189 2V5E SCR 0.02942 0.4021 6.93069
190 2YIV YIV 0.0003554 0.4774 7.29167
191 1PR9 NAP 0.0006134 0.46736 7.29167
192 1GPJ CIT 0.0003325 0.46117 7.29167
193 2YIV NBN 0.0008563 0.45144 7.29167
194 1GVF PGH 0.001996 0.41565 7.29167
195 4JEJ 1GP 0.0006881 0.41058 7.29167
196 2WM1 13P 0.001516 0.40965 7.29167
197 1PFK FBP 0.00146 0.4058 7.29167
198 1BTN I3P 0.005701 0.45624 7.54717
199 2XI7 XI7 0.01077 0.43317 7.6087
200 3TKA CTN 0.0006651 0.5135 7.8125
201 2YD6 FLC 0.002604 0.47565 7.8125
202 1TDF NAP 0.003723 0.46272 7.8125
203 1TDF FAD 0.002161 0.45789 7.8125
204 4LSJ LSJ 0.001597 0.43245 7.8125
205 3I6B KDO 0.001359 0.42223 7.8125
206 3TKA SAM 0.00004006 0.40423 7.8125
207 1F5F DHT 0.0002353 0.40136 7.8125
208 1B74 DGN 0.005579 0.42244 8.26772
209 3NNF AKG 0.001456 0.43398 8.33333
210 2QCX PF1 0.006199 0.40153 8.33333
211 3MD0 GDP 0.00248 0.40645 8.4507
212 1X8X TYR 0.000108 0.44771 8.85417
213 1HFA PIO 0.004447 0.43686 8.85417
214 1Q11 TYE 0.001058 0.42651 8.85417
215 4COQ SAN 0.00232 0.42539 8.85417
216 4C1K PEP 0.001756 0.41784 8.85417
217 3A1I UNU 0.001527 0.40633 8.85417
218 2XRH NIO 0.001525 0.44039 9
219 2XDQ MGX 0.00288 0.44388 9.375
220 3SBZ MLI 0.004601 0.43411 9.375
221 3LTW HLZ 0.001835 0.42971 9.375
222 3SQG COM 0.009393 0.42722 9.375
223 1UWZ THU 0.004495 0.40634 9.55882
224 1H2M OGA 0.002347 0.42518 9.61539
225 1NME 159 0.004243 0.4358 9.78261
226 1ZUW DGL 0.0001004 0.45949 9.89583
227 1YAG ATP 0.0005238 0.45597 9.89583
228 2AEB ABH 0.01819 0.40476 9.89583
229 1T3D CYS 0.01201 0.40078 9.89583
230 4N7C AEF 0.007075 0.41096 10.2273
231 1YBH P22 0.0007628 0.41646 10.4167
232 3UIE ADX 0.0003734 0.41278 10.4167
233 3EJ0 11X 0.004892 0.40296 10.4167
234 1WHT BZS 0.001957 0.42852 10.4575
235 2J8Z NAP 0.001167 0.44983 10.9375
236 4TMK T5A 0.01787 0.44488 10.9375
237 2IZ1 ATR 0.002191 0.42645 10.9375
238 2PTZ PAH 0.001706 0.42295 10.9375
239 2DVZ GLU 0.001048 0.41215 10.9375
240 3WKX FUB 0.005182 0.41057 10.9375
241 4BAS GNP 0.008576 0.40281 10.9375
242 2Q97 ATP 0.0008007 0.44655 11.4583
243 1KC7 PPR 0.001369 0.44245 11.4583
244 1I0Z OXM 0.006078 0.42829 11.4583
245 2G36 TRP 0.001264 0.40381 11.4583
246 1P72 THM 0.004853 0.40042 11.4583
247 4EXO PYR 0.001851 0.44447 11.6438
248 2DWU DGL 0.00005501 0.46943 11.9792
249 4QVH FLC 0.005224 0.45431 11.9792
250 2YVF FAD 0.004795 0.45174 11.9792
251 2YVF NAD 0.004963 0.45174 11.9792
252 1NML CIT 0.001439 0.42125 11.9792
253 1VR0 3SL 0.00271 0.40498 11.9792
254 1H2K OGA 0.002223 0.42618 12.1951
255 4AF5 CIT 0.0003795 0.45873 12.5
256 1I1Q TRP 0.0001296 0.45527 12.5
257 3NB0 G6P 0.03009 0.40536 12.5
258 4CCN OGA 0.001427 0.43435 13.0208
259 4CCO OGA 0.00215 0.41437 13.0208
260 3ZGE ASP 0.0007054 0.46372 13.5417
261 2ZJF BSU 0.00222 0.40044 13.5417
262 2EFJ SAH 0.00257 0.41811 14.0625
263 2EFJ 37T 0.001338 0.41035 14.0625
264 4BT5 23B 0.00262 0.40554 14.0625
265 4JWX 1N4 0.003034 0.40847 14.5833
266 2X2T GAL NGA 0.003069 0.44256 15.0327
267 2OWZ CIT 0.0004882 0.4541 15.1042
268 1GJW GLC 0.001706 0.43823 15.1042
269 2VAR KDG 0.0007435 0.41 15.1042
270 4LFL TG6 0.002119 0.40113 15.6977
271 2HW1 FRU 0.002732 0.41609 16.1074
272 2Z9V PXM 0.004455 0.40188 16.1458
273 3BY8 MLT 0.001012 0.44823 16.1972
274 2Q1A 2KT 0.003421 0.41823 17.1875
275 1ULE GLA GAL NAG 0.01102 0.40881 18.6667
276 2GDZ NAD 0.003175 0.4329 18.75
277 1HSJ GLC 0.02626 0.41255 18.75
278 3TXO 07U 0.0001638 0.42414 19.2708
279 3L24 GOA 0.0009699 0.46656 22.3958
280 1Q3Q ANP 0.02753 0.41471 26.0417
281 3L6R MLI 0.0112 0.40213 26.0417
282 1IYE PGU 0.002466 0.43891 26.5625
Pocket No.: 4; Query (leader) PDB : 1KHT; Ligand: AMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1kht.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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