Receptor
PDB id Resolution Class Description Source Keywords
4C5N 1.75 Å EC: 2.7.1.35 STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH AMP-PCP AND PYRIDOXAL STAPHYLOCOCCUS AUREUS TRANSFERASE RIBOKINASE
Ref.: A SUBFAMILY OF BACTERIAL RIBOKINASES UTILIZES A HEMITHIOACETAL FOR PYRIDOXAL PHOSPHATE SALVAGE. J.AM.CHEM.SOC. V. 136 4992 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 D:1277;
B:1278;
B:1277;
D:1278;
D:1279;
C:1278;
C:1277;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UEG D:300;
Invalid;
none;
submit data
169.178 C8 H11 N O3 Cc1c(...
ACP A:500;
C:500;
D:500;
B:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
PXL A:300;
C:300;
B:300;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
167.162 C8 H9 N O3 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C5N 1.75 Å EC: 2.7.1.35 STRUCTURE OF THE PYRIDOXAL KINASE FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH AMP-PCP AND PYRIDOXAL STAPHYLOCOCCUS AUREUS TRANSFERASE RIBOKINASE
Ref.: A SUBFAMILY OF BACTERIAL RIBOKINASES UTILIZES A HEMITHIOACETAL FOR PYRIDOXAL PHOSPHATE SALVAGE. J.AM.CHEM.SOC. V. 136 4992 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4C5L - PXL C8 H9 N O3 Cc1c(c(c(c....
2 4C5K - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4C5M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 4C5N - ACP C11 H18 N5 O12 P3 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 4 families.
1 4C5L - PXL C8 H9 N O3 Cc1c(c(c(c....
2 4C5K - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4C5M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 4C5N - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
50% 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 4C5L - PXL C8 H9 N O3 Cc1c(c(c(c....
2 4C5K - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4C5M - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 4C5N - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACP; Similar ligands found: 351
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 BA3 0.833333 0.945205
5 AP5 0.821918 0.945205
6 ADP 0.821918 0.972222
7 B4P 0.821918 0.945205
8 AN2 0.810811 0.958904
9 AP2 0.808219 0.986301
10 A12 0.808219 0.986301
11 M33 0.8 0.932432
12 ATP 0.789474 0.972222
13 5FA 0.779221 0.972222
14 AQP 0.779221 0.972222
15 AR6 0.779221 0.945205
16 APR 0.779221 0.945205
17 AGS 0.769231 0.921053
18 SAP 0.769231 0.921053
19 AD9 0.769231 0.945946
20 A 0.763889 0.944444
21 AMP 0.763889 0.944444
22 APC 0.75641 0.986301
23 CA0 0.753247 0.92
24 ADX 0.753247 0.851852
25 ANP 0.75 0.945946
26 50T 0.74359 0.932432
27 PRX 0.734177 0.87013
28 ABM 0.733333 0.893333
29 ATF 0.731707 0.933333
30 AMP MG 0.72 0.868421
31 SRA 0.706667 0.894737
32 A22 0.705882 0.958904
33 RBY 0.703704 0.959459
34 ADV 0.703704 0.959459
35 5AL 0.698795 0.906667
36 ADQ 0.689655 0.92
37 A1R 0.689655 0.909091
38 AU1 0.6875 0.945946
39 ADP MG 0.6875 0.881579
40 TAT 0.686747 0.933333
41 SRP 0.682353 0.907895
42 BEF ADP 0.679012 0.858974
43 ADP BEF 0.679012 0.858974
44 OAD 0.674157 0.92
45 4TC 0.673469 0.922078
46 4AD 0.670455 0.921053
47 AMO 0.670455 0.933333
48 00A 0.662921 0.860759
49 ADP PO3 0.662651 0.917808
50 3OD 0.659341 0.92
51 BIS 0.659341 0.909091
52 25A 0.659091 0.945205
53 8QN 0.659091 0.906667
54 5SV 0.659091 0.82716
55 OOB 0.659091 0.906667
56 ATP MG 0.654762 0.881579
57 SON 0.654321 0.933333
58 25L 0.652174 0.958904
59 PAJ 0.651685 0.8625
60 DLL 0.644444 0.906667
61 AHX 0.644444 0.897436
62 TXA 0.641304 0.907895
63 3UK 0.637363 0.894737
64 ADP ALF 0.632184 0.848101
65 ALF ADP 0.632184 0.848101
66 WAQ 0.630435 0.884615
67 LAD 0.630435 0.8625
68 PR8 0.630435 0.851852
69 MAP 0.629214 0.921053
70 GAP 0.627907 0.87013
71 ANP MG 0.625 0.871795
72 ADP VO4 0.625 0.906667
73 VO4 ADP 0.625 0.906667
74 ME8 0.623656 0.841463
75 PTJ 0.623656 0.873418
76 NB8 0.623656 0.897436
77 1ZZ 0.623656 0.819277
78 FYA 0.623656 0.906667
79 UP5 0.62 0.896104
80 G3A 0.618557 0.897436
81 AFH 0.612245 0.886076
82 G5P 0.612245 0.897436
83 9SN 0.610526 0.85
84 GTA 0.606061 0.864198
85 YAP 0.604167 0.896104
86 FA5 0.604167 0.907895
87 TXD 0.60396 0.884615
88 XAH 0.597938 0.841463
89 XYA 0.597222 0.821918
90 ADN 0.597222 0.821918
91 RAB 0.597222 0.821918
92 48N 0.594059 0.897436
93 DAL AMP 0.593407 0.881579
94 2A5 0.593023 0.92
95 AOC 0.592593 0.8
96 4UV 0.591837 0.871795
97 NAI 0.588235 0.884615
98 NXX 0.588235 0.907895
99 NAX 0.588235 0.875
100 DND 0.588235 0.907895
101 6V0 0.588235 0.873418
102 ATR 0.586207 0.944444
103 PAP 0.586207 0.958333
104 ADP BMA 0.585106 0.894737
105 LAQ 0.584158 0.819277
106 5AS 0.583333 0.761364
107 TXE 0.582524 0.884615
108 OMR 0.582524 0.831325
109 5N5 0.581081 0.797297
110 4UU 0.58 0.871795
111 A A 0.578947 0.918919
112 7D3 0.578313 0.881579
113 AP0 0.576923 0.873418
114 A4D 0.573333 0.797297
115 5CD 0.573333 0.783784
116 JB6 0.572917 0.884615
117 4UW 0.572816 0.839506
118 A4P 0.571429 0.823529
119 CNA 0.570093 0.907895
120 7D4 0.569767 0.881579
121 ITT 0.569767 0.917808
122 A2R 0.565217 0.958904
123 M2T 0.564103 0.716049
124 YLP 0.563107 0.821429
125 139 0.560748 0.851852
126 ADJ 0.560748 0.831325
127 T5A 0.560748 0.843373
128 TAD 0.558824 0.910256
129 ATP A A A 0.555556 0.905405
130 A3P 0.552941 0.944444
131 TYM 0.552381 0.907895
132 IOT 0.551402 0.833333
133 EP4 0.551282 0.734177
134 MYR AMP 0.55102 0.797619
135 7D5 0.55 0.855263
136 A3D 0.54955 0.894737
137 GCP 0.548387 0.922078
138 YLC 0.54717 0.841463
139 YLB 0.54717 0.821429
140 UPA 0.54717 0.884615
141 NAD 0.545455 0.906667
142 COD 0.545455 0.813953
143 G5A 0.544444 0.781609
144 DTA 0.544304 0.766234
145 3DH 0.54321 0.753247
146 DZD 0.540541 0.910256
147 AHZ 0.538462 0.797619
148 MTA 0.5375 0.753247
149 3AM 0.536585 0.90411
150 A2P 0.534884 0.930556
151 TYR AMP 0.534653 0.858974
152 AR6 AR6 0.533981 0.893333
153 6AD 0.532609 0.886076
154 PPS 0.532609 0.851852
155 YLA 0.53211 0.821429
156 AMP DBH 0.529412 0.87013
157 AYB 0.527273 0.811765
158 A5A 0.526882 0.788235
159 TSB 0.526316 0.8
160 6RE 0.52381 0.7625
161 S4M 0.523256 0.670455
162 SSA 0.521277 0.802326
163 NA7 0.520408 0.959459
164 7MD 0.519231 0.864198
165 LPA AMP 0.518868 0.797619
166 BTX 0.517857 0.843373
167 NAE 0.517241 0.871795
168 52H 0.515789 0.761364
169 54H 0.515789 0.770115
170 VMS 0.515789 0.770115
171 BT5 0.513274 0.833333
172 NAQ 0.512821 0.85
173 ZAS 0.511905 0.746835
174 J7C 0.511628 0.772152
175 A3N 0.511628 0.766234
176 IMO 0.511628 0.90411
177 AV2 0.510638 0.893333
178 53H 0.510417 0.761364
179 5CA 0.510417 0.802326
180 ARU 0.510204 0.839506
181 ARG AMP 0.509434 0.831325
182 ALF ADP 3PG 0.509259 0.839506
183 AF3 ADP 3PG 0.509259 0.839506
184 LA8 ALF 3PG 0.509259 0.839506
185 M24 0.508621 0.829268
186 ZID 0.508475 0.894737
187 2AM 0.506024 0.917808
188 V3L 0.505376 0.945205
189 3AT 0.505376 0.972222
190 AVV 0.505155 0.897436
191 MAO 0.5 0.761905
192 LSS 0.5 0.764045
193 NSS 0.5 0.802326
194 DSZ 0.5 0.802326
195 EAD 0.5 0.851852
196 DSH 0.5 0.728395
197 P5A 0.5 0.747253
198 YLY 0.495726 0.811765
199 NVA LMS 0.494949 0.744444
200 5X8 0.494505 0.766234
201 DAT 0.494505 0.906667
202 7MC 0.490909 0.843373
203 LEU LMS 0.49 0.744444
204 SMM 0.489583 0.689655
205 SAM 0.489362 0.694118
206 DTP 0.489362 0.906667
207 7DD 0.488889 0.958333
208 GJV 0.488636 0.753086
209 OVE 0.488372 0.881579
210 5AD 0.486842 0.726027
211 KAA 0.485149 0.755556
212 GSU 0.485149 0.781609
213 P1H 0.483871 0.831325
214 NDE 0.483871 0.907895
215 N0B 0.483333 0.821429
216 A3G 0.482759 0.802632
217 NAD IBO 0.482456 0.848101
218 NAJ PZO 0.478632 0.82716
219 4TA 0.478261 0.809524
220 SFG 0.478261 0.753247
221 YSA 0.47619 0.781609
222 FB0 0.47619 0.827586
223 NDC 0.47619 0.85
224 7DT 0.473118 0.958333
225 A7D 0.472527 0.779221
226 NJP 0.469565 0.921053
227 FDA 0.46875 0.835294
228 A5D 0.468085 0.766234
229 SA8 0.468085 0.710843
230 MHZ 0.467391 0.701149
231 71V 0.466667 0.884615
232 0WD 0.465517 0.897436
233 G A A A 0.465517 0.85
234 6FA 0.465116 0.843373
235 GGZ 0.464646 0.804878
236 SAH 0.463158 0.746835
237 6C6 0.463158 0.883117
238 SAI 0.463158 0.7375
239 NAJ PYZ 0.46281 0.829268
240 Y3J 0.4625 0.706667
241 7D7 0.461538 0.723684
242 TXP 0.46087 0.897436
243 PO4 PO4 A A A A PO4 0.460784 0.878378
244 S7M 0.459184 0.694118
245 AMP NAD 0.459016 0.858974
246 6IA 0.458333 0.839506
247 DDS 0.458333 0.855263
248 FAD 0.458015 0.853659
249 SFD 0.458015 0.736842
250 FAS 0.458015 0.853659
251 ODP 0.456897 0.886076
252 A3S 0.456522 0.813333
253 7C5 0.453704 0.797468
254 AAT 0.453608 0.710843
255 EEM 0.453608 0.694118
256 RGT 0.45283 0.933333
257 NPW 0.452174 0.8875
258 NDP 0.452174 0.897436
259 FAY 0.451852 0.864198
260 PGS 0.451613 0.860759
261 D5M 0.449438 0.88
262 DA 0.449438 0.88
263 NEC 0.449438 0.727273
264 U A G G 0.449153 0.860759
265 2SA 0.44898 0.933333
266 NIA 0.448276 0.802469
267 NZQ 0.448276 0.910256
268 A U 0.447368 0.848101
269 A3T 0.446809 0.8
270 A A A 0.446602 0.906667
271 128 0.446429 0.758621
272 6K6 0.445545 0.905405
273 GEK 0.445545 0.740741
274 4YB 0.445455 0.764045
275 AAM 0.444444 0.944444
276 FNK 0.444444 0.806818
277 62F 0.444444 0.864198
278 Z5A 0.443548 0.761364
279 WSA 0.442478 0.790698
280 AMZ 0.44186 0.891892
281 C2R 0.44186 0.88
282 12D 0.441441 0.767442
283 XNP 0.440678 0.851852
284 RFL 0.437956 0.823529
285 N6P 0.436893 0.890411
286 62X 0.436893 0.670455
287 AIR 0.433735 0.876712
288 PLP AAD 0.433333 0.725275
289 GP3 0.43299 0.897436
290 A6D 0.432692 0.705882
291 V1N 0.431193 0.893333
292 649 0.429825 0.747253
293 GP2 0.428571 0.910256
294 NA0 0.428571 0.907895
295 GDP 0.428571 0.896104
296 0UM 0.427184 0.702381
297 DCA 0.42623 0.825581
298 ETB 0.42623 0.835294
299 GNH 0.424242 0.884615
300 NAP 0.424 0.92
301 PUA 0.422764 0.8625
302 APU 0.422414 0.871795
303 101 0.422222 0.855263
304 3AD 0.421687 0.808219
305 FA9 0.42069 0.865854
306 TAP 0.420635 0.884615
307 TM1 0.420561 0.755814
308 P5F 0.41958 0.825581
309 0T1 0.419355 0.825581
310 COA 0.419355 0.825581
311 K15 0.419048 0.686047
312 7RP 0.417582 0.902778
313 S8M 0.417476 0.7625
314 NHD 0.416667 0.881579
315 GTP 0.415842 0.896104
316 FCX 0.414062 0.797753
317 F2N 0.413793 0.816092
318 AS 0.413043 0.835443
319 7RA 0.413043 0.931507
320 G1R 0.411765 0.884615
321 SXZ 0.411215 0.714286
322 QQY 0.411111 0.794872
323 ACK 0.411111 0.837838
324 AMX 0.409449 0.835294
325 30N 0.409449 0.755319
326 CAO 0.409449 0.797753
327 J7V 0.409449 0.813953
328 COS 0.409449 0.806818
329 1DG 0.409449 0.897436
330 DG1 0.409449 0.897436
331 NAD BBN 0.408759 0.821429
332 8BR 0.408602 0.883117
333 GNP 0.407767 0.873418
334 GSP 0.407767 0.851852
335 D3Y 0.407767 0.792208
336 G2P 0.407767 0.910256
337 CC5 0.407407 0.819444
338 KB1 0.407407 0.702381
339 N01 0.406504 0.881579
340 CMX 0.40625 0.825581
341 SCO 0.40625 0.825581
342 CMP 0.404255 0.876712
343 2BA 0.404255 0.890411
344 ACO 0.403101 0.797753
345 FAM 0.403101 0.806818
346 NAD CJ3 0.402878 0.793103
347 2VA 0.402062 0.779221
348 3NZ 0.401869 0.78481
349 26A 0.4 0.74359
350 HAX 0.4 0.806818
351 QQX 0.4 0.78481
Ligand no: 2; Ligand: PXL; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PXL 1 1
2 PLP 0.541667 0.659574
3 UEG 0.465116 0.837838
4 PXM 0.434783 0.690476
5 GT0 0.408163 0.756098
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C5N; Ligand: ACP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4c5n.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4C5N; Ligand: ACP; Similar sites found: 68
This union binding pocket(no: 2) in the query (biounit: 4c5n.bio2) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TTI KBI 0.0009782 0.43215 1.08696
2 4WHZ 3NL 0.002722 0.41557 1.08696
3 4XH0 ADP 0.01497 0.42833 1.44928
4 2JBM SRT 0.04635 0.40312 1.81159
5 4KBA 1QM 0.0008207 0.49055 2.17391
6 4OH4 ANP 0.004183 0.43214 2.17391
7 4NFN 2KC 0.00508 0.43197 2.17391
8 3LJU IP9 0.01115 0.42467 2.17391
9 3SXS PP2 0.002208 0.43739 2.23881
10 2J5V PCA 0.005547 0.46553 2.53623
11 2B9J ADP 0.003665 0.43871 2.53623
12 2QLU ADE 0.008593 0.43664 2.53623
13 2B9I ADP 0.00603 0.42474 2.53623
14 3IGO ANP 0.009279 0.40647 2.53623
15 2NV4 SAM 0.01028 0.41064 2.72109
16 3X01 AMP 0.004069 0.46298 2.89855
17 2QHV OC9 0.03177 0.40759 3.33333
18 4PVV HO4 0.00007713 0.46698 3.62319
19 4I6H 1C8 0.008243 0.41841 3.62319
20 2F2U M77 0.01966 0.41457 3.62319
21 1AUX AGS 0.01317 0.4089 3.62319
22 4K79 GAL A2G 0.04117 0.40162 3.63636
23 4CFU 2WC 0.002608 0.45001 3.98551
24 4BCN T9N 0.005749 0.43746 3.98551
25 4IZY 1J2 0.002489 0.43507 3.98551
26 2ZV2 609 0.01019 0.42917 3.98551
27 5HVJ ANP 0.02003 0.4266 3.98551
28 4UX9 ANP 0.005261 0.42054 3.98551
29 3ALN ANP 0.007663 0.41323 3.98551
30 1GOJ ADP 0.0489 0.40756 3.98551
31 1W2D ADP 0.01775 0.41685 4.15094
32 3LOO B4P 0.00002951 0.47842 4.71014
33 3HMO STU 0.00306 0.44244 4.71014
34 2Q8C AKG 0.04362 0.40262 4.71014
35 2C49 ANP 0.0003272 0.40156 4.71014
36 5DA3 58V 0.00184 0.467 4.90566
37 2Z7R STU 0.006602 0.41296 5.07246
38 4AU8 Z3R 0.007519 0.4359 5.43478
39 4Q5H ANP 0.01994 0.40047 5.76923
40 3NC9 TR3 0.0003982 0.44008 5.7971
41 2HW1 ANP 0.00009844 0.41176 5.7971
42 1O9U ADZ 0.005211 0.45881 6.15942
43 5T8O 76Z 0.0062 0.41735 6.15942
44 3VPB ADP 0.00654 0.40441 6.15942
45 2ABS ACP 0.0001236 0.46052 6.52174
46 3OTX AP5 0.001861 0.40883 6.52174
47 2VZ6 FEF 0.03217 0.40357 6.52174
48 4GYI ADP 0.007945 0.43047 6.88406
49 2WU6 DKI 0.005372 0.41379 7.24638
50 3PP0 03Q 0.00707 0.40034 7.24638
51 2CBZ ATP 0.02638 0.42226 7.59494
52 4DFU QUE 0.02244 0.41975 7.6087
53 1U59 STU 0.008522 0.41774 8.33333
54 2JG1 ANP 0.00008265 0.42018 9.05797
55 4XF6 LIP 0.00002087 0.46868 9.15751
56 4XF6 INS 0.00002087 0.46868 9.15751
57 4XF6 ADP 0.00002228 0.45776 9.15751
58 1IA9 ANP 0.004869 0.42547 9.78261
59 2VAR ANP 0.0001127 0.41585 9.78261
60 3LQV ADE 0.006651 0.44628 10.2564
61 3GC8 B45 0.0008736 0.45145 11.2319
62 2X1L MET 0.02875 0.41238 11.2319
63 1RKD RIB 0.00007399 0.45906 13.0435
64 1RKD ADP 0.004146 0.42343 13.0435
65 3CQD ATP 0.0005577 0.43335 15.2174
66 4XDA ADP 0.00008165 0.45749 16.3043
67 4XDA RIB 0.00008165 0.45749 16.3043
68 2DTJ THR 0.02821 0.40651 17.4157
Pocket No.: 3; Query (leader) PDB : 4C5N; Ligand: PXL; Similar sites found: 61
This union binding pocket(no: 3) in the query (biounit: 4c5n.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TTI KBI 0.003782 0.4099 1.08696
2 4XH0 ADP 0.01569 0.42833 1.44928
3 4KBA 1QM 0.005836 0.44738 2.17391
4 4OH4 ANP 0.004445 0.43214 2.17391
5 3LJU IP9 0.01166 0.42467 2.17391
6 4NFN 2KC 0.01796 0.40694 2.17391
7 3SXS PP2 0.009268 0.4107 2.23881
8 2J5V PCA 0.005801 0.46553 2.53623
9 2B9J ADP 0.003892 0.43871 2.53623
10 2QLU ADE 0.009087 0.43298 2.53623
11 2B9I ADP 0.006399 0.42474 2.53623
12 3X01 AMP 0.004285 0.46298 2.89855
13 4PVV HO4 0.00006221 0.46721 3.62319
14 2F2U M77 0.02503 0.41029 3.62319
15 4CFU 2WC 0.002769 0.45001 3.98551
16 4BCN T9N 0.00608 0.43746 3.98551
17 4IZY 1J2 0.002657 0.43507 3.98551
18 2ZV2 609 0.01074 0.42917 3.98551
19 5HVJ ANP 0.02578 0.42201 3.98551
20 4UX9 ANP 0.0056 0.42054 3.98551
21 3ALN ANP 0.008144 0.41323 3.98551
22 1W2D ADP 0.01867 0.41685 4.15094
23 3LOO B4P 0.00002228 0.47942 4.71014
24 3HMO STU 0.003336 0.44191 4.71014
25 2Q8C AKG 0.0455 0.40262 4.71014
26 5DA3 58V 0.001951 0.467 4.90566
27 2Z7R STU 0.007029 0.41296 5.07246
28 4AU8 Z3R 0.007933 0.4359 5.43478
29 3OQJ 3CX 0.04342 0.40526 5.43478
30 4Q5H ANP 0.02106 0.40047 5.76923
31 3NC9 TR3 0.0001075 0.45837 5.7971
32 2HW1 ANP 0.0001171 0.40433 5.7971
33 1O9U ADZ 0.005451 0.45881 6.15942
34 5T8O 76Z 0.007193 0.41565 6.15942
35 3VPB ADP 0.007351 0.4035 6.15942
36 2ABS ACP 0.00008406 0.46364 6.52174
37 3OTX AP5 0.001755 0.40733 6.52174
38 2VZ6 FEF 0.03376 0.40357 6.52174
39 4UP4 GAL NAG 0.007207 0.44475 6.88406
40 4GYI ADP 0.008391 0.43047 6.88406
41 3PP0 03Q 0.003762 0.42169 7.24638
42 2WU6 DKI 0.005732 0.41379 7.24638
43 2CBZ ATP 0.02753 0.42226 7.59494
44 4DFU QUE 0.0221 0.42122 7.6087
45 1U59 STU 0.009032 0.41774 8.33333
46 2JG1 ANP 0.00009345 0.414 9.05797
47 4XF6 LIP 0.00001829 0.47425 9.15751
48 4XF6 INS 0.00001829 0.47425 9.15751
49 4XF6 ADP 0.00001923 0.46371 9.15751
50 1IA9 ANP 0.005036 0.42603 9.78261
51 2VAR ANP 0.0001348 0.40757 9.78261
52 3LQV ADE 0.006953 0.44628 10.2564
53 3GC8 B45 0.003742 0.42503 11.2319
54 2X1L MET 0.03003 0.41238 11.2319
55 1RKD RIB 0.00005243 0.46612 13.0435
56 1RKD ADP 0.004847 0.41846 13.0435
57 3CQD ATP 0.0003129 0.4399 15.2174
58 3BY8 MLT 0.003584 0.4606 15.493
59 4XDA RIB 0.00005525 0.45879 16.3043
60 4XDA ADP 0.00005525 0.45879 16.3043
61 2DTJ THR 0.02962 0.40651 17.4157
Pocket No.: 4; Query (leader) PDB : 4C5N; Ligand: PXL; 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: 4c5n.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4C5N; Ligand: ACP; Similar sites found: 49
This union binding pocket(no: 5) in the query (biounit: 4c5n.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LNX URI 0.004149 0.45157 None
2 2HK5 1BM 0.001839 0.40034 1.48148
3 2OFV 242 0.001016 0.44057 1.81159
4 2GU8 796 0.007486 0.42013 1.81159
5 5N87 N66 0.00479 0.41244 1.81159
6 5VCV 1N1 0.001992 0.41184 1.81159
7 5W4W 9WG 0.001031 0.43486 2.17391
8 1GSA ADP 0.002126 0.40711 2.17391
9 1OUK 084 0.01122 0.43372 2.53623
10 2XVD AS6 0.002195 0.41852 2.53623
11 1VJY 460 0.003911 0.4124 2.53623
12 5HCY 60D 0.01181 0.4031 2.53623
13 4P5Z Q7M 0.003221 0.42198 2.89855
14 3ITJ FAD 0.006748 0.41973 2.89855
15 3OPT AKG 0.02529 0.41014 2.89855
16 2WPB ZZI 0.02713 0.40655 2.89855
17 4CQE CQE 0.01035 0.40059 2.89855
18 1V1A ADP 0.0001149 0.4397 3.26087
19 5BVE 4VG 0.005277 0.43058 3.26087
20 5TO8 7FM 0.004497 0.41698 3.26087
21 1OPK P16 0.00569 0.40438 3.26087
22 4RPL FAD 0.02485 0.40352 3.26087
23 5HX8 66P 0.003785 0.40591 3.62319
24 3VHE 42Q 0.005644 0.4032 3.62319
25 2XMY CDK 0.01948 0.40711 3.98551
26 5H2U 1N1 0.0004913 0.40856 4.86891
27 2I0D MUT 0.01755 0.40978 5.05051
28 3LXK MI1 0.004029 0.40633 5.8104
29 4USF 6UI 0.001942 0.41222 6.15942
30 3VPC ADP 0.005679 0.40615 6.15942
31 5AWM ANP 0.0002722 0.40338 6.52174
32 4I4B NAD 0.006983 0.42515 6.88406
33 4BKJ STI 0.006831 0.40112 6.88406
34 1LOB MMA 0.01306 0.4187 7.18232
35 4F4P 0SB 0.01974 0.40359 7.69231
36 4QTB 38Z 0.005427 0.40251 9.05797
37 4K37 SAM 0.009634 0.40937 9.78261
38 3KRR DQX 0.01992 0.40604 10.8696
39 2X1L ADN 0.01951 0.4058 11.2319
40 4X7Q 3YR 0.01266 0.40051 11.2319
41 2VWA PTY 0.03212 0.40058 11.8812
42 1KOR ARG 0.02864 0.41003 12.3188
43 1KOR SIN 0.02864 0.41003 12.3188
44 1KOR ANP 0.02928 0.41003 12.3188
45 2ZFZ ARG 0.04672 0.40528 13.9241
46 2JGV ADP 0.0001658 0.40071 14.4928
47 3CQL NAG 0.02814 0.40821 14.8148
48 4TWP AXI 0.01114 0.41871 17.7122
49 3L9R L9Q 0.005261 0.40955 19.3878
Pocket No.: 6; Query (leader) PDB : 4C5N; Ligand: ACP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4c5n.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4C5N; Ligand: PXL; Similar sites found: 5
This union binding pocket(no: 7) in the query (biounit: 4c5n.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WHZ 3NL 0.006399 0.40798 1.08696
2 2C49 ANP 0.0004747 0.4081 4.71014
3 4X7Q 3YR 0.01637 0.40087 11.2319
4 2JGV ADP 0.00003017 0.41462 14.4928
5 3CQL NAG 0.02795 0.41423 14.8148
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