Receptor
PDB id Resolution Class Description Source Keywords
2R7K 2.1 Å EC: 6.3.4.- CRYSTAL STRUCTURE OF FAICAR SYNTHETASE (PURP) FROM M. JANNASCHII COMPLEXED WITH AMPPCP AND AICAR METHANOCALDOCOCCUS JANNASCHII ATP-GRASP SUPERFAMILY ATP-BINDING LIGASE MAGNESIUM MANGANESE METAL-BINDING NUCLEOTIDE-BINDING
Ref.: CRYSTAL STRUCTURE AND FUNCTION OF 5-FORMAMINOIMIDAZOLE-4-CARBOXAMIDE RIBONUCLEOTIDE SYNTHETASE FROM METHANOCALDOCOCCUS JANNASCHII. BIOCHEMISTRY V. 47 205 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACP A:400;
Valid;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
AMZ A:401;
Valid;
none;
submit data
338.211 C9 H15 N4 O8 P c1nc(...
CL A:601;
A:602;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
SO4 A:500;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R7K 2.1 Å EC: 6.3.4.- CRYSTAL STRUCTURE OF FAICAR SYNTHETASE (PURP) FROM M. JANNASCHII COMPLEXED WITH AMPPCP AND AICAR METHANOCALDOCOCCUS JANNASCHII ATP-GRASP SUPERFAMILY ATP-BINDING LIGASE MAGNESIUM MANGANESE METAL-BINDING NUCLEOTIDE-BINDING
Ref.: CRYSTAL STRUCTURE AND FUNCTION OF 5-FORMAMINOIMIDAZOLE-4-CARBOXAMIDE RIBONUCLEOTIDE SYNTHETASE FROM METHANOCALDOCOCCUS JANNASCHII. BIOCHEMISTRY V. 47 205 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R7N - FAI C10 H15 N4 O9 P c1nc(c(n1[....
2 2R7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2R7M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2R7K - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R7N - FAI C10 H15 N4 O9 P c1nc(c(n1[....
2 2R7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 2R7M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2R7K - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2R87 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2R84 - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
3 2R85 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 2R86 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 2R7N - FAI C10 H15 N4 O9 P c1nc(c(n1[....
6 2R7L - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 2R7M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
8 2R7K - AMZ C9 H15 N4 O8 P c1nc(c(n1[....
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: AMZ; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 AMZ 1 1
2 C2R 0.836066 0.985507
3 NIA 0.676471 0.868421
4 FAI 0.638889 1
5 A 0.575342 0.888889
6 AMP 0.575342 0.888889
7 AIR 0.573529 0.955882
8 JLN 0.573333 0.971014
9 71V 0.558442 0.833333
10 GUO 0.552941 0.971429
11 AAM 0.532468 0.888889
12 7RA 0.532468 0.876712
13 RVP 0.527778 0.9
14 7RP 0.519481 0.847222
15 1RB 0.513158 0.830986
16 RMB 0.512821 0.819444
17 RBZ 0.506494 0.821918
18 G 0.5 0.905405
19 5GP 0.5 0.905405
20 1PR 0.494624 0.918919
21 2ER 0.494624 0.931507
22 IMO 0.493671 0.849315
23 P2P 0.493671 0.824324
24 CA0 0.481928 0.891892
25 PMO 0.481481 0.797297
26 ADP 0.47561 0.916667
27 IMP 0.47561 0.90411
28 A2D 0.475 0.890411
29 ABM 0.475 0.84
30 AN2 0.46988 0.90411
31 93A 0.46988 0.82716
32 PGS 0.464286 0.810127
33 BA3 0.463415 0.890411
34 A12 0.463415 0.88
35 AP2 0.463415 0.88
36 AMP MG 0.4625 0.815789
37 2SA 0.460674 0.88
38 6C6 0.45977 0.807692
39 ATP 0.458824 0.916667
40 AP5 0.457831 0.890411
41 B4P 0.457831 0.890411
42 25A 0.456522 0.890411
43 6IA 0.454545 0.768293
44 5FA 0.453488 0.916667
45 AQP 0.453488 0.916667
46 APC 0.453488 0.88
47 G7M 0.452381 0.87013
48 XMP 0.451219 0.917808
49 IRN 0.450704 0.867647
50 SRA 0.45 0.842105
51 5AL 0.449438 0.878378
52 MZP 0.447368 0.9
53 AU1 0.447059 0.891892
54 ADX 0.447059 0.802469
55 ADP MG 0.447059 0.828947
56 M33 0.447059 0.878378
57 MZR 0.442857 0.8
58 ADP BEF 0.44186 0.807692
59 BEF ADP 0.44186 0.807692
60 50T 0.44186 0.878378
61 ACP 0.44186 0.891892
62 SRP 0.43956 0.855263
63 ACQ 0.438202 0.891892
64 TAT 0.438202 0.88
65 GAP 0.438202 0.842105
66 APR 0.436782 0.890411
67 PRX 0.436782 0.818182
68 AR6 0.436782 0.890411
69 SON 0.435294 0.88
70 8BR 0.433735 0.855263
71 PTJ 0.43299 0.846154
72 SAP 0.431818 0.868421
73 ADP PO3 0.431818 0.863014
74 ADV 0.431818 0.855263
75 AD9 0.431818 0.891892
76 RBY 0.431818 0.855263
77 AGS 0.431818 0.868421
78 ATP MG 0.426966 0.828947
79 OOB 0.425532 0.878378
80 8QN 0.425532 0.878378
81 ANP 0.422222 0.891892
82 AMO 0.421053 0.88
83 4AD 0.421053 0.868421
84 PAJ 0.421053 0.835443
85 RGT 0.42 0.88
86 6AD 0.417582 0.835443
87 AHX 0.416667 0.846154
88 DLL 0.416667 0.878378
89 00A 0.416667 0.833333
90 A22 0.414894 0.90411
91 DAL AMP 0.414894 0.853333
92 ITT 0.413793 0.863014
93 ALF ADP 0.413043 0.797468
94 ADP ALF 0.413043 0.797468
95 ATF 0.413043 0.88
96 3UK 0.412371 0.891892
97 OAD 0.412371 0.891892
98 A2P 0.411765 0.875
99 6K6 0.410526 0.851351
100 9SN 0.41 0.846154
101 ADP VO4 0.408602 0.853333
102 VO4 ADP 0.408602 0.853333
103 ANP MG 0.408602 0.820513
104 PR8 0.408163 0.802469
105 WAQ 0.408163 0.833333
106 LAD 0.408163 0.8125
107 V3L 0.406593 0.890411
108 GDP 0.406593 0.918919
109 GP2 0.406593 0.883117
110 ADQ 0.40625 0.866667
111 ME8 0.40404 0.792683
112 TXA 0.40404 0.88
113 3OD 0.40404 0.891892
114 NB8 0.40404 0.846154
115 1ZZ 0.40404 0.792683
116 7DD 0.402299 0.902778
117 GNH 0.402174 0.906667
118 N6P 0.402062 0.835616
119 G2P 0.4 0.883117
120 MAP 0.4 0.868421
121 7D5 0.4 0.802632
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R7K; Ligand: ACP; Similar sites found: 130
This union binding pocket(no: 1) in the query (biounit: 2r7k.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.01922 0.44276 None
2 4BPM GSH 0.007116 0.41795 1.1236
3 2Z9V PXM 0.02586 0.4363 1.66205
4 4KCT FDP 0.02629 0.4244 1.66205
5 3VOZ 04A 0.001795 0.46465 1.90476
6 4Q3S X7A 0.0017 0.43642 1.93906
7 2QV7 ADP 0.04258 0.40849 2.07715
8 2WLT ASP 0.001536 0.43372 2.10843
9 1XP8 AGS 0.0001747 0.42534 2.21607
10 1XX4 BAM 0.01266 0.45419 2.29885
11 2C2A ADP 0.01979 0.42005 2.32558
12 4HE2 AMP 0.0002158 0.45692 2.36686
13 1I0Z OXM 0.03742 0.45316 2.4024
14 3BHO B4P 0.02863 0.46695 2.40385
15 3QV9 QV7 0.02282 0.44352 2.49307
16 4P87 4NP 0.002096 0.43459 2.49307
17 3O2K DST 0.03418 0.43021 2.49307
18 4K30 NLG 0.003033 0.47227 2.5
19 1A5Z OXM 0.0004083 0.55761 2.50784
20 1A5Z FBP 0.0006587 0.47459 2.50784
21 2ZO9 MLI 0.02191 0.42989 2.55474
22 3MAG 3MA 0.002792 0.5283 2.60586
23 1E4E PHY 0.03831 0.41054 2.62391
24 1DXY NAD 0.00000004018 0.40983 2.7027
25 4HPP GLU 0.0001386 0.45117 2.77008
26 2GGH NLQ 0.002287 0.4131 2.77008
27 5DRN 5CT 0.00631 0.50254 2.7907
28 5A2J ALA PRO ASP THR ARG PRO 0.001925 0.52405 2.86885
29 1KTC NGA 0.03867 0.42751 3.04709
30 1JQN DCO 0.001343 0.42516 3.04709
31 3UXL CFI 0.001109 0.40966 3.04709
32 3VGL BGC 0.0002218 0.46296 3.11526
33 3VGL ANP 0.0005095 0.42849 3.11526
34 3DER ALA LYS 0.01489 0.41365 3.18841
35 1ONX ASP 0.005821 0.41854 3.3241
36 2Q1A 2KT 0.001061 0.45862 3.41297
37 1W31 SHO 0.000005692 0.44654 3.50877
38 3NOJ PYR 0.001683 0.49833 3.60111
39 1NVV GNP 0.0001796 0.40652 3.61446
40 1JH7 UVC 0.000287 0.43348 3.7037
41 4FUA PGH 0.01378 0.40497 3.72093
42 1E4I NFG 0.0004999 0.45709 3.87812
43 2Z5Y HRM 0.004176 0.41859 3.87812
44 1Z4V DAN 0.04022 0.41581 3.87812
45 5DTF 5CT 0.002404 0.51853 3.91304
46 2NZ2 ASP 0.006075 0.46767 4.11622
47 2NZ2 CIR 0.001235 0.4429 4.11622
48 3RO7 TDR 0.00000002157 0.41376 4.15094
49 3TI8 LNV 0.0007453 0.4189 4.15512
50 1P1M MET 0.02182 0.4071 4.15512
51 2WL9 MBD 0.0001243 0.48666 4.2623
52 1FX8 BOG 0.0005163 0.48773 4.27046
53 1XIU REA 0.03335 0.41027 4.34783
54 3AIQ HBO 0.00002639 0.44745 4.43213
55 2YP9 SIA CMO 0.01541 0.42635 4.43213
56 3DUR KDO 0.03351 0.43489 4.46429
57 5D6C 57S 0.03175 0.46068 4.54545
58 1ZZ7 S0H 0.01149 0.4539 4.54545
59 4M7J KDA KDO KDO 0.04004 0.44281 4.56621
60 2RHW C0E 0.00001362 0.41977 4.59364
61 1Y0L HAN 0.002808 0.52814 4.62963
62 1T0S BML 0.04352 0.44347 4.65116
63 1ULE GLA GAL NAG 0.04799 0.43113 4.66667
64 2ZWS PLM 0.005643 0.51949 4.70914
65 1BGV GLU 0.00006889 0.45189 4.70914
66 2NCD ADP 0.02632 0.44032 4.70914
67 4QCK ASD 0.01525 0.40569 4.70914
68 1V8K ANP 0.008169 0.40395 4.70914
69 4M7F BM3 0.01179 0.45335 4.86726
70 2J5S KTA 0.003856 0.44679 4.94297
71 3DGB MUC 0.000005267 0.41218 4.98615
72 2GJ3 FAD 0.00000001459 0.41191 5
73 4A8T PAO 0.00000009457 0.46591 5.01475
74 1Y75 NAG 0.02434 0.43347 5.08475
75 1WKL ADP 0.0001382 0.43523 5.10949
76 1WKL ATP 0.00007161 0.42211 5.10949
77 1I2L DCS 0.005176 0.43804 5.20446
78 5T63 ALA ALA ALA ALA 0.001822 0.44943 5.26316
79 1GXU 2HP 0.00004117 0.5138 5.49451
80 3V91 UPG 0.0001117 0.42377 5.49828
81 1MXI SAH 0.04202 0.4032 5.625
82 1K27 MTM 0.0014 0.4271 5.65371
83 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.01337 0.46068 5.66038
84 3EAU NDP 0.000001983 0.40845 5.8104
85 3EAU PDN 0.000001983 0.40845 5.8104
86 1F7K UMP 0.01004 0.40876 5.88235
87 1FNZ A2G 0.0001622 0.49052 5.90717
88 4QN6 LNV 0.0001136 0.44817 6.6482
89 1TV5 ORO 0.02321 0.41861 6.6482
90 1TV5 A26 0.0252 0.40463 6.6482
91 1TV5 N8E 0.04663 0.40127 6.6482
92 1TV5 FMN 0.002322 0.40058 6.6482
93 1CFV E3G 0.0157 0.40522 6.72269
94 2EB5 OXL 0.02736 0.44419 6.74157
95 4IEN GDP 0.01346 0.40418 6.74847
96 4IEN COA 0.008204 0.40175 6.74847
97 5DS8 GLY 5CT GLY ALA 0.006029 0.49203 6.75676
98 4PB2 5UD 0.0114 0.42709 6.92521
99 2C9O ADP 0.0000101 0.41058 7.20222
100 1A8S PPI 0.03402 0.42091 7.32601
101 3CH5 GDP 0.005123 0.40632 7.69231
102 3O9P MHI 0.00004194 0.40379 7.75623
103 1O9U ADZ 0.00005049 0.62029 8
104 3NKT 1HN 0.004103 0.42404 8.03324
105 4DN8 BMA 0.009845 0.46769 8.33333
106 1SJW NGV 0.0009296 0.42059 8.33333
107 1J2Z SOG 0.0003202 0.41825 8.51852
108 2GN2 C5P 0.0002009 0.50521 8.77193
109 2BMK PDD 0.04309 0.43599 8.84956
110 2PP3 LGT 0.02161 0.42485 8.86427
111 4EXO PYR 0.0376 0.4471 8.90411
112 3PHQ KDO 0.001961 0.56008 9.00901
113 1HV9 UD1 0.001216 0.42911 9.14127
114 3NGU ADP 0.03388 0.416 9.93377
115 1FWY UD1 0.008014 0.40209 9.96979
116 1RZM PEP 0.0424 0.42549 10.0592
117 1MH5 HAL 0.01416 0.45417 10.9589
118 1JQ5 NAD 0.0000003709 0.41258 11.0803
119 4QDF 30Q 0.01007 0.40871 11.3573
120 1L3I SAH 0.01375 0.405 11.4583
121 43CA NPO 0.03837 0.46985 11.5044
122 2ET1 GLV 0.0000004855 0.51582 12.4378
123 4TMK T5A 0.000000005947 0.43139 12.6761
124 2PR5 FMN 0.0357 0.40621 14.3939
125 3TKA CTN 0.03477 0.46379 15.2738
126 1B5E DCM 0.04234 0.42169 16.2602
127 2FR6 CTN 0.04866 0.40048 19.1781
128 3KPE TM3 0.0188 0.45284 20.5128
129 4PNO U5P 0.00001814 0.56244 36.1111
130 1UGX GAL MGC 0.003047 0.42336 40
Pocket No.: 2; Query (leader) PDB : 2R7K; Ligand: AMZ; Similar sites found: 253
This union binding pocket(no: 2) in the query (biounit: 2r7k.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.01922 0.44276 None
2 4BPM GSH 0.007116 0.41795 1.1236
3 1IA9 ANP 0.0007957 0.45543 1.42857
4 1Q8Y ADE 0.001345 0.47367 1.66205
5 3K5I ADP 0.0005071 0.45989 1.66205
6 2Z9V PXM 0.02586 0.4363 1.66205
7 4KCT FDP 0.02629 0.4244 1.66205
8 3K5I AIR 0.001775 0.40045 1.66205
9 4JDI ANP 0.008854 0.40531 1.7341
10 3LXN MI1 0.004442 0.4185 1.88679
11 3VOZ 04A 0.001795 0.46465 1.90476
12 2PZI AXX 0.0009692 0.47004 1.93906
13 2PUL ACP 0.002748 0.43917 1.93906
14 4Q3S X7A 0.0017 0.43642 1.93906
15 4UWH JXM 0.01148 0.41368 1.93906
16 1OBD ATP 0.001823 0.45662 1.96078
17 1ZY5 ANP 0.002993 0.43744 1.9802
18 3GGF GVD 0.001462 0.45652 1.99336
19 2QV7 ADP 0.04258 0.40849 2.07715
20 2WLT ASP 0.001536 0.43372 2.10843
21 4CS9 AMP 0.001212 0.47546 2.1164
22 1GSA ADP 0.00007418 0.48704 2.21519
23 1XP8 AGS 0.0001747 0.42534 2.21607
24 1I7E IBS 0.01852 0.41824 2.26415
25 4GLW 0XT 0.0005318 0.49434 2.29508
26 1XX4 BAM 0.01266 0.45419 2.29885
27 2Q7D ANP 0.0003252 0.4486 2.31214
28 2C2A ADP 0.01979 0.42005 2.32558
29 4HE2 AMP 0.0002158 0.45692 2.36686
30 2PVF ACP 0.01295 0.40763 2.39521
31 1I0Z OXM 0.03742 0.45316 2.4024
32 3BHO B4P 0.02863 0.46695 2.40385
33 1TQP ATP 0.001969 0.42363 2.48227
34 2Z7R STU 0.003112 0.42185 2.49221
35 3QV9 QV7 0.02282 0.44352 2.49307
36 4P87 4NP 0.002096 0.43459 2.49307
37 3O2K DST 0.03418 0.43021 2.49307
38 2H8H H8H 0.007702 0.41464 2.49307
39 4OAV ACP 0.01246 0.40841 2.49307
40 4H3P ANP 0.01148 0.40667 2.49307
41 4K30 NLG 0.003033 0.47227 2.5
42 1A5Z OXM 0.0004083 0.55761 2.50784
43 1A5Z FBP 0.0006587 0.47459 2.50784
44 2ZO9 MLI 0.02191 0.42989 2.55474
45 2WQN ADP 0.003857 0.4407 2.58065
46 3MAG 3MA 0.002792 0.5283 2.60586
47 1E4E ADP 0.002321 0.4346 2.62391
48 1E4E PHY 0.03831 0.41054 2.62391
49 4I94 ANP 0.003008 0.43734 2.66667
50 4OH4 ANP 0.007333 0.41562 2.7027
51 1DXY NAD 0.00000004018 0.40983 2.7027
52 4HPP GLU 0.0001386 0.45117 2.77008
53 2GGH NLQ 0.002287 0.4131 2.77008
54 3TII ANP 0.00003481 0.41238 2.77008
55 1U59 STU 0.002288 0.43879 2.78746
56 5DRN 5CT 0.00631 0.50254 2.7907
57 5A2J ALA PRO ASP THR ARG PRO 0.001925 0.52405 2.86885
58 3I0O ADP 0.000715 0.48195 2.94985
59 2V7O DRN 0.00003975 0.55211 2.97619
60 3E5A VX6 0.005146 0.40345 2.98507
61 1CKN GTP 0.01451 0.42054 3.0303
62 1CKM GTP 0.01663 0.41749 3.0303
63 2R5T ANP 0.001542 0.43498 3.04709
64 1KTC NGA 0.03867 0.42751 3.04709
65 1JQN DCO 0.001343 0.42516 3.04709
66 3UXL CFI 0.001109 0.40966 3.04709
67 3UIM ANP 0.009575 0.4103 3.06748
68 4IDT T28 0.01701 0.40205 3.08989
69 4DFU QUE 0.0004122 0.50653 3.10559
70 3IDB ANP 0.003466 0.41657 3.10559
71 3VGL BGC 0.0002218 0.46296 3.11526
72 3VGL ANP 0.0005095 0.42849 3.11526
73 2B9J ADP 0.009055 0.41492 3.11615
74 2B9F ADP 0.01257 0.40486 3.11615
75 2B9I ADP 0.01391 0.40283 3.11615
76 3W0O ADP 0.0007083 0.42364 3.15186
77 2F57 23D 0.006419 0.42579 3.15457
78 4FG8 ATP 0.007112 0.4095 3.1746
79 2QLU ADE 0.02449 0.40811 3.18471
80 3DER ALA LYS 0.01489 0.41365 3.18841
81 2VZ6 FEF 0.002952 0.44639 3.19489
82 4GYI ADP 0.0009018 0.47157 3.3241
83 1ONX ASP 0.005821 0.41854 3.3241
84 3ALN ANP 0.01994 0.40942 3.36391
85 4AU8 Z3R 0.003821 0.44549 3.37838
86 2Q1A 2KT 0.001061 0.45862 3.41297
87 4KS7 X4Z 0.007541 0.40229 3.42466
88 1W31 SHO 0.000005692 0.44654 3.50877
89 3NOJ PYR 0.001683 0.49833 3.60111
90 1PK8 ATP 0.0003705 0.44994 3.60111
91 1NVV GNP 0.0001796 0.40652 3.61446
92 2ZV2 609 0.002957 0.45107 3.69128
93 1JH7 UVC 0.000287 0.43348 3.7037
94 3CQL NDG 0.03294 0.40374 3.7037
95 4LH7 1X8 0.0002313 0.5267 3.71517
96 4FUA PGH 0.01378 0.40497 3.72093
97 3FHR P4O 0.01303 0.40096 3.86905
98 2IF8 ADP 0.0001929 0.52388 3.87812
99 4ME6 ADP 0.0003391 0.5142 3.87812
100 3HZT J60 0.0004575 0.49165 3.87812
101 1E4I NFG 0.0004999 0.45709 3.87812
102 2VQD AP2 0.003578 0.42263 3.87812
103 2Z5Y HRM 0.004176 0.41859 3.87812
104 1Z4V DAN 0.04022 0.41581 3.87812
105 5DTF 5CT 0.002404 0.51853 3.91304
106 3M2W L8I 0.001678 0.45838 4.01338
107 2NZ2 ASP 0.006075 0.46767 4.11622
108 2NZ2 CIR 0.001235 0.4429 4.11622
109 3RO7 TDR 0.00000002157 0.41376 4.15094
110 1EHI ADP 0.002042 0.43709 4.15512
111 3VOT ADP 0.000005007 0.43154 4.15512
112 3TI8 LNV 0.0007453 0.4189 4.15512
113 1KJ8 ATP 0.000197 0.41771 4.15512
114 1KJ8 GAR 0.0002129 0.41269 4.15512
115 1P1M MET 0.02182 0.4071 4.15512
116 1AUX AGS 0.00003316 0.52288 4.18006
117 1I7L ATP 0.0003393 0.45525 4.20712
118 3ETH ATP 0.0001496 0.47857 4.22535
119 1IOW PHY 0.0008748 0.43235 4.24837
120 2WL9 MBD 0.0001243 0.48666 4.2623
121 1FX8 BOG 0.0005163 0.48773 4.27046
122 1XIU REA 0.03335 0.41027 4.34783
123 3AIQ HBO 0.00002639 0.44745 4.43213
124 2YP9 SIA CMO 0.01541 0.42635 4.43213
125 3TPV ADE 0.01193 0.40269 4.43213
126 3DUR KDO 0.03351 0.43489 4.46429
127 5D6C 57S 0.03175 0.46068 4.54545
128 1ZZ7 S0H 0.01149 0.4539 4.54545
129 4I6H 1C8 0.01431 0.40227 4.54545
130 4M7J KDA KDO KDO 0.04004 0.44281 4.56621
131 2RHW C0E 0.00001362 0.41977 4.59364
132 4CFU 2WC 0.005078 0.43066 4.62046
133 1Y0L HAN 0.002808 0.52814 4.62963
134 1T0S BML 0.04352 0.44347 4.65116
135 4BCQ TJF 0.006998 0.43231 4.65116
136 4BCN T9N 0.003667 0.44178 4.66667
137 1ULE GLA GAL NAG 0.04799 0.43113 4.66667
138 2ZWS PLM 0.005643 0.51949 4.70914
139 1BGV GLU 0.00006889 0.45189 4.70914
140 2NCD ADP 0.02632 0.44032 4.70914
141 4QCK ASD 0.01525 0.40569 4.70914
142 1V8K ANP 0.008169 0.40395 4.70914
143 4PU5 ANP 0.008202 0.40075 4.70914
144 2QCS ANP 0.005126 0.40075 4.811
145 4F9C 0SX 0.008944 0.41517 4.86111
146 4M7F BM3 0.01179 0.45335 4.86726
147 2J5S KTA 0.003856 0.44679 4.94297
148 3DGB MUC 0.000005267 0.41218 4.98615
149 2GJ3 FAD 0.00000001459 0.41191 5
150 4A8T PAO 0.00000009457 0.46591 5.01475
151 1Y75 NAG 0.02434 0.43347 5.08475
152 1WKL ADP 0.0001382 0.43523 5.10949
153 1WKL ATP 0.00007161 0.42211 5.10949
154 1I2L DCS 0.005176 0.43804 5.20446
155 2F2U M77 0.002275 0.45677 5.26316
156 5T63 ALA ALA ALA ALA 0.001822 0.44943 5.26316
157 3V8S 0HD 0.002618 0.44016 5.26316
158 3RE4 TO1 0.0005475 0.48775 5.42636
159 1ZTH ADP 0.001147 0.47166 5.42636
160 1ZP9 ATP 0.002347 0.4467 5.42636
161 1GXU 2HP 0.00004117 0.5138 5.49451
162 3V91 UPG 0.0001117 0.42377 5.49828
163 3WO0 ALA 0.00004533 0.4324 5.54017
164 1MXI SAH 0.04202 0.4032 5.625
165 3FW3 GLC 0.04057 0.42302 5.6391
166 1K27 MTM 0.0014 0.4271 5.65371
167 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.01337 0.46068 5.66038
168 3EAU NDP 0.000001983 0.40845 5.8104
169 3EAU PDN 0.000001983 0.40845 5.8104
170 3WVR AMP 0.0002978 0.48953 5.81717
171 4AZT LY2 0.003802 0.4456 5.81717
172 4AZW ATP 0.0001865 0.4161 5.81717
173 4NFN 2KC 0.002927 0.43789 5.82524
174 1F7K UMP 0.01004 0.40876 5.88235
175 1FNZ A2G 0.0001622 0.49052 5.90717
176 1CM8 ANP 0.0141 0.40589 6.09418
177 2CFM AMP 0.01858 0.41097 6.37119
178 3V4S ATP 0.00004552 0.50079 6.6482
179 3ORQ ADP 0.0002872 0.47072 6.6482
180 4QN6 LNV 0.0001136 0.44817 6.6482
181 3V4S ADP 0.0001139 0.43089 6.6482
182 1TV5 ORO 0.02321 0.41861 6.6482
183 1TV5 A26 0.0252 0.40463 6.6482
184 1Y57 MPZ 0.007878 0.40149 6.6482
185 1TV5 N8E 0.04663 0.40127 6.6482
186 1TV5 FMN 0.002322 0.40058 6.6482
187 1G41 ADP 0.000326 0.40046 6.6482
188 2VPQ ANP 0.001182 0.40403 6.65188
189 1CFV E3G 0.0157 0.40522 6.72269
190 2EB5 OXL 0.02736 0.44419 6.74157
191 4IEN GDP 0.01346 0.40418 6.74847
192 4IEN COA 0.008204 0.40175 6.74847
193 5DS8 GLY 5CT GLY ALA 0.006029 0.49203 6.75676
194 3VPD ANP 0.0005152 0.40974 6.76157
195 1U5R ATP 0.007469 0.41884 6.89655
196 1TZD ADP 0.0003071 0.52407 6.90909
197 2YRX AMP 0.00005872 0.5555 6.92521
198 4PB2 5UD 0.0114 0.42709 6.92521
199 2VN9 GVD 0.0005752 0.49259 6.97674
200 4LRJ ANP 0.01472 0.40501 7.10059
201 2C9O ADP 0.0000101 0.41058 7.20222
202 1A8S PPI 0.03402 0.42091 7.32601
203 2A19 ANP 0.001585 0.46465 7.42857
204 4BFM ANP 0.004536 0.4181 7.48503
205 1W2D ADP 0.0004593 0.49157 7.54717
206 1W2D 4IP 0.004233 0.40408 7.54717
207 1V0O INR 0.01106 0.40417 7.63889
208 3CH5 GDP 0.005123 0.40632 7.69231
209 2PYW ADP 0.0007437 0.45259 7.75623
210 3ZRM ZRM 0.002163 0.43991 7.75623
211 3O9P MHI 0.00004194 0.40379 7.75623
212 1O9U ADZ 0.0004004 0.5099 8
213 3NKT 1HN 0.004103 0.42404 8.03324
214 2YW2 ATP 0.0002947 0.47023 8.31025
215 4DN8 BMA 0.009845 0.46769 8.33333
216 1SJW NGV 0.0009296 0.42059 8.33333
217 1J2Z SOG 0.0003202 0.41825 8.51852
218 2GN2 C5P 0.0002009 0.50521 8.77193
219 2BMK PDD 0.04309 0.43599 8.84956
220 2PP3 LGT 0.02161 0.42485 8.86427
221 4CFT M48 0.04108 0.40221 8.86427
222 4EXO PYR 0.0376 0.4471 8.90411
223 3PHQ KDO 0.001961 0.56008 9.00901
224 3PDT ADP 0.01171 0.41327 9.09091
225 1HV9 UD1 0.001216 0.42911 9.14127
226 4OCV ANP 0.002853 0.43059 9.69529
227 3NGU ADP 0.03388 0.416 9.93377
228 3KMW ATP 0.00209 0.44474 9.9631
229 1FWY UD1 0.008014 0.40209 9.96979
230 1RZM PEP 0.0424 0.42549 10.0592
231 1MH5 HAL 0.01416 0.45417 10.9589
232 3H9R TAK 0.02012 0.4132 11.0092
233 1JQ5 NAD 0.0000003709 0.41258 11.0803
234 1Z2P I3S 0.0001289 0.42074 11.1111
235 4QDF 30Q 0.01007 0.40871 11.3573
236 1L3I SAH 0.01375 0.405 11.4583
237 4Q5H ANP 0.008919 0.41171 11.4943
238 43CA NPO 0.03837 0.46985 11.5044
239 2ET1 GLV 0.0000004855 0.51582 12.4378
240 4TMK T5A 0.000000005947 0.43139 12.6761
241 3KAL ADP 0.000602 0.41184 13.5734
242 2GQS ADP 0.007841 0.41785 14.346
243 2PR5 FMN 0.0357 0.40621 14.3939
244 3VPB ADP 0.0001888 0.46184 14.539
245 3VPC ADP 0.002378 0.42688 14.539
246 3TKA CTN 0.03477 0.46379 15.2738
247 1B5E DCM 0.04234 0.42169 16.2602
248 3DAK ANP 0.01456 0.40871 18.6207
249 2FR6 CTN 0.04866 0.40048 19.1781
250 3KPE TM3 0.0188 0.45284 20.5128
251 3BU5 ATP 0.007755 0.4145 33.3333
252 4PNO U5P 0.00001814 0.56244 36.1111
253 1UGX GAL MGC 0.003047 0.42336 40
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