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Receptor
PDB id Resolution Class Description Source Keywords
4MV1 1.91 Å EC: 6.3.4.14 CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM HAEMOPHILUS INF COMPLEX WITH ADP AND PHOSPHATE HAEMOPHILUS INFLUENZAE ATP-GRASP LIGASE
Ref.: STRUCTURAL ANALYSIS OF SUBSTRATE, REACTION INTERMED PRODUCT BINDING IN HAEMOPHILUS INFLUENZAE BIOTIN CARBOXYLASE. BIOCHEMISTRY V. 54 3860 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:501;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
EDO A:504;
A:503;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ADP A:502;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MV1 1.91 Å EC: 6.3.4.14 CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM HAEMOPHILUS INF COMPLEX WITH ADP AND PHOSPHATE HAEMOPHILUS INFLUENZAE ATP-GRASP LIGASE
Ref.: STRUCTURAL ANALYSIS OF SUBSTRATE, REACTION INTERMED PRODUCT BINDING IN HAEMOPHILUS INFLUENZAE BIOTIN CARBOXYLASE. BIOCHEMISTRY V. 54 3860 2015
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
2 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
4 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
7 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
19 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
21 2VQD - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
22 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
23 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
27 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
28 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
29 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W6O ic50 = 60.8 uM OA3 C10 H13 N3 O CC1(Cc2c(c....
2 3JZI ic50 = 5 uM JZL C23 H28 Cl N5 O2 c1ccc(c(c1....
3 3JZF ic50 = 5 uM JZK C22 H25 Cl N4 O c1ccc(c(c1....
4 3G8C - BTN C10 H16 N2 O3 S C1[C@H]2[C....
5 3RV3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 2V59 Kd = 6.53 nM LZK C15 H15 N5 O2 COc1cccc(c....
7 2W70 ic50 = 12 uM L22 C7 H7 N5 S c1cnc(nc1c....
8 3RV4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 2W6P ic50 = 0.333 uM OA4 C15 H14 N4 Cc1c(ccc2c....
10 3G8D - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1DV2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 2V5A ic50 = 150 nM LZL C17 H15 N5 c1ccc(cc1)....
13 2W6N ic50 = 0.125 uM OA2 C18 H17 N3 O2 c1ccc(cc1)....
14 2W6M ic50 = 21.5 uM OA1 C10 H7 Br N2 O2 c1cc(cc(c1....
15 2W6Q ic50 = 25.4 uM OA5 C11 H13 N5 O2 c1ccc(cc1)....
16 2J9G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
17 2W6Z ic50 = 1500 uM L21 C10 H13 N5 CC(=CCn1cn....
18 2V58 Kd = 0.82 nM LZJ C13 H9 Br2 N5 c1cc(c(c(c....
19 3RUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 2W71 ic50 = 0.334 uM L23 C15 H13 Cl2 N5 Cc1nc(cn1C....
21 2VQD - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
22 4MV6 - PCT C2 H6 N O4 P C(C(=O)N)P....
23 4RZQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 4MV4 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4MV1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 4MV8 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
27 4MV7 - PPF C H3 O5 P C(=O)(O)P(....
28 4MV3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
29 2VPQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MV1; Ligand: ADP; Similar sites found with APoc: 273
This union binding pocket(no: 1) in the query (biounit: 4mv1.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5Y86 HRM 1.06838
2 5DZT AMP 1.06838
3 4O1P ANP 1.28205
4 4IJP 1EH 1.39665
5 5T8O 76Z 1.43266
6 2PVF ACP 1.49701
7 4NZN ANP 1.51515
8 4NZN 2OU 1.51515
9 4K33 ACP 1.53846
10 2RIO ADP 1.6129
11 5A6N U7E 1.76678
12 5YF9 NIO 1.76991
13 4BHN BH9 1.79641
14 6GZD LCI 1.87166
15 2WQN ADP 1.93548
16 1YFS ALA 1.93548
17 4NFN 2KC 1.94175
18 4ZS4 ATP 1.9544
19 4GLW 0XT 1.96721
20 4PZ6 GMP 1.98511
21 6BFN DL1 2.04678
22 2V7O DRN 2.08333
23 3DLS ADP 2.08955
24 3ISN EDM 2.10773
25 3GC0 AMP 2.12766
26 1GPM AMP 2.13675
27 6AC9 ANP 2.16216
28 3PDT ADP 2.18182
29 3LXN MI1 2.20126
30 2VZ6 FEF 2.23642
31 5H2U 1N1 2.24719
32 3W0O HY0 2.29226
33 3W0O ADP 2.29226
34 2VN9 GVD 2.32558
35 3HAV ATP 2.34114
36 2ZV2 609 2.34899
37 4OH4 ANP 2.4024
38 1Q8Y ADE 2.41287
39 1V0O INR 2.43056
40 5CKW ANP 2.43902
41 3UIM ANP 2.45399
42 1CBK ROI 2.5
43 1NBU PH2 2.52101
44 5QIN J2V 2.53165
45 3X01 AMP 2.54453
46 2F57 23D 2.5641
47 5DBX ANP 2.5641
48 3WXL ADP 2.5641
49 4X7Q 3YR 2.5641
50 4AUA 4AU 2.60586
51 3SLS ANP 2.63158
52 4U98 ACP 2.64317
53 5CEO 50D 2.66667
54 5WKR NAR 2.69058
55 4BFM ANP 2.69461
56 5LPB ADP 2.7027
57 1CM8 ANP 2.7248
58 4KS7 X4Z 2.73973
59 3S6X SIA GAL BGC 2.76923
60 5OES ADP 2.77778
61 5C9P FUC 2.77778
62 2WEI VGG 2.78746
63 3B6R CRN 2.88714
64 5WNL STU 2.92398
65 5OSW CIT 2.99145
66 2BMB PMM 2.99145
67 4I9B 1KA 2.99145
68 3B99 U51 2.99145
69 5TDF ADP 3.01624
70 6FYL 3NG 3.0303
71 5OMY 9YE 3.06905
72 3KN5 ANP 3.07692
73 3DAK ANP 3.10345
74 2H8H H8H 3.17757
75 3HMO STU 3.21637
76 3I0O ADP 3.24484
77 3SRV S19 3.2491
78 1TZD ADP 3.27273
79 5LPZ ADP 3.31325
80 4H3P ANP 3.31492
81 4UAL 3FV 3.34129
82 4NFE BEN 3.37553
83 6F3G CJN 3.38983
84 3THR C2F 3.41297
85 4DFU QUE 3.41615
86 4BTK DTQ 3.4188
87 5IM3 DTP 3.4188
88 2Z7R STU 3.4188
89 4NM5 ADP 3.44828
90 2XOC ADP 3.44828
91 1U5R ATP 3.44828
92 5WSY 7UC 3.46821
93 3ZRM ZRM 3.50404
94 3PTG 932 3.63248
95 4UX9 ANP 3.63248
96 4UWH JXM 3.63248
97 2R7K ACP 3.63248
98 2R7K AMZ 3.63248
99 4G17 0VN 3.63636
100 4IDT T28 3.65169
101 3M2W L8I 3.67893
102 2Z9I GLY ALA THR VAL 3.7037
103 1O9U ADZ 3.71429
104 3F7Z 34O 3.71429
105 3PN1 IVH 3.77358
106 2AQX ATP 3.80623
107 1K3A ACP 3.84615
108 5EFQ ADP 4.03458
109 3UDZ ADP 4.05983
110 1Z2P ACP 4.05983
111 1Z2P I3S 4.05983
112 2HGS ADP 4.21941
113 1XF1 CIT 4.2735
114 4NST ADP 4.2735
115 4YMJ 4EJ 4.27632
116 5I35 ANP 4.3257
117 5C03 AGS 4.38596
118 2X2M X2M 4.4586
119 4XH0 ADP 4.4665
120 1M0W ANP 4.48718
121 4OAV ACP 4.48718
122 5EQY 5RA 4.48878
123 3C3D FO1 4.50161
124 3BU5 ATP 4.57516
125 1IR3 ANP 4.57516
126 3UYW TAU 4.6729
127 4H3Q ANP 4.69613
128 2OO0 XAP 4.70085
129 4WOV 3SM 4.73186
130 2QLU ADE 4.77707
131 1I7L ATP 4.91453
132 1AUX AGS 4.91453
133 1PK8 ATP 4.91453
134 2YAB AMP 4.98615
135 4AU8 Z3R 5.06757
136 5AWM ANP 5.07614
137 5VLQ ANP 5.12821
138 1JPA ANP 5.12821
139 5MW8 ATP 5.12821
140 3O0G 3O0 5.13699
141 3ALN ANP 5.19878
142 4WNP 3RJ 5.22648
143 5MJA 7O3 5.2459
144 2PZI AXX 5.28634
145 5ODT ADP 5.30035
146 5KO1 6UY 5.30035
147 5LXM ADP 5.30035
148 2BKK ADP 5.32544
149 4I94 ANP 5.33333
150 2DT9 THR 5.38922
151 5HSS 64Z 5.39084
152 2PYW ADP 5.47619
153 4Y0X ADP 5.6
154 2BPM 529 5.66038
155 2B9J ADP 5.66572
156 2B9F ADP 5.66572
157 2B9H ADP 5.66572
158 2B9I ADP 5.66572
159 1IA9 ANP 5.71429
160 4BCM T7Z 5.72519
161 4BCN T9N 5.72519
162 4BCQ TJF 5.72519
163 3ZW2 NAG GAL FUC 5.74713
164 1BYG STU 5.7554
165 2Q7D ANP 5.78035
166 4RDL FUC GAL NDG FUC 5.84416
167 4JR7 GNP 5.88235
168 4WW7 AMP 5.88235
169 4OUC 5ID 5.88235
170 4CC6 L5Y 5.97484
171 6GIN IR2 5.98007
172 4WOE 3S5 5.98291
173 4M69 ANP 6.00707
174 1S68 AMP 6.0241
175 4GYI ADP 6.04534
176 5UPK ANP 6.06936
177 5YK1 ANP 6.19469
178 4Q5H ANP 6.32184
179 1GSA ADP 6.32911
180 5U6C 7YS 6.34921
181 3HZT J60 6.42398
182 2WEL K88 6.66667
183 5Y80 IRE 6.70927
184 3PLS ANP 6.71141
185 1UNH IXM 6.73077
186 2PUL ACP 6.80101
187 1W2D ADP 6.83761
188 1W2D 4IP 6.83761
189 1OBD ATP 6.86275
190 2HY0 306 7.14286
191 2GQR ADP 7.173
192 2GQS ADP 7.173
193 3ETH ATP 7.26496
194 2F2U M77 7.46269
195 4C2W ANP 7.69231
196 1XJD STU 7.82609
197 5ZCT ANP 7.84314
198 3TXO 07U 7.90598
199 5HVJ ANP 7.93651
200 5G1X ADP 7.93651
201 3V8S 0HD 8.04878
202 4UXL 5P8 8.07453
203 4R78 AMP 8.09062
204 5AX9 4KT 8.11688
205 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 8.11966
206 2JDR L20 8.11966
207 4U44 3D9 8.13253
208 2QX0 PH2 8.1761
209 6GU6 1QK 8.27815
210 5HQ0 LZ9 8.27815
211 4F9C 0SX 8.33333
212 2IF8 ADP 8.53994
213 6GUE FB8 8.58209
214 5X8I SQZ 8.67052
215 1EXF GLY 8.67769
216 4XZ3 ACP 8.69565
217 4XYM A12 8.69565
218 4CFU 2WC 8.77863
219 4Y8D 49J 8.82353
220 5OKT 9XK 9.23567
221 4O4F ATP 9.27419
222 4O4F IHP 9.27419
223 1ZTH ADP 9.30233
224 1ZP9 ATP 9.30233
225 4LH7 1X8 9.90712
226 5YW5 ADE 10.0559
227 3RE4 TO1 10.0775
228 3AQV TAK 10.5072
229 3AB4 THR 10.6742
230 5M06 ADP 10.8696
231 4FE2 ADP 10.9804
232 3VPC ADP 10.9929
233 4DC2 ADE 11.1111
234 4JLS 3ZE 11.1842
235 3ORQ ADP 11.3248
236 6C7Y ADP 11.9658
237 5LI1 ANP 12.1469
238 5LI9 ACP 12.2857
239 2QK4 ATP 12.6106
240 5JZJ AN2 13.1313
241 3GGF GVD 13.289
242 5LXT ACP 13.4615
243 6FYV 3NG 13.6499
244 4CYI ATP 14.3162
245 1S9D AFB 14.6341
246 3WVR AMP 14.9573
247 4LRJ ANP 15.3846
248 3MKN DNB 15.8228
249 2A19 ANP 16
250 3VPB ADP 16.0714
251 3C0G 3AM 16.2393
252 1KJ8 ATP 16.3683
253 1EHI ADP 16.6667
254 1ZY5 ANP 17.1617
255 5L8L ADP 18.8034
256 2YW2 ATP 19.2308
257 3TII ANP 19.8718
258 5K2M ADP 20.1465
259 3KMW ATP 20.155
260 3VOT ADP 20.9412
261 3H9R TAK 21.1009
262 1T36 ADP 21.3675
263 5C1P ADP 23.8562
264 5C1P DAL DAL 23.8562
265 1SQL GUN 23.9726
266 2YRX AMP 24.612
267 1IOW ADP 31.3725
268 1IOW PHY 31.3725
269 3VPD ANP 31.6726
270 3V4S ADP 33.5917
271 3V4S ATP 33.5917
272 3K5I ADP 39.4541
273 5LVP ATP 40
Pocket No.: 2; Query (leader) PDB : 4MV1; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4mv1.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1GYM MYG 4.69799
2 4N7C AEF 11.9318
Pocket No.: 3; Query (leader) PDB : 4MV1; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4mv1.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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