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Receptor
PDB id Resolution Class Description Source Keywords
4NAT 1.72 Å EC: 2.7.7.3 INHIBITORS OF 4-PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASE STAPHYLOCOCCUS AUREUS COAD PANTHETHEINE PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASECYTOSOLIC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF INHIBITORS OF 4'-PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT) TO VALIDATE PPAT AS A TA ANTIBACTERIAL THERAPY. ANTIMICROB.AGENTS CHEMOTHER. V. 57 6005 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2W5 B:201;
C:201;
A:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
424.321 C20 H23 Cl2 N3 O3 COc1c...
EPE A:202;
B:202;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
ADP B:203;
A:203;
C:202;
Valid;
Valid;
Valid;
none;
none;
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
4NAT 1.72 Å EC: 2.7.7.3 INHIBITORS OF 4-PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASE STAPHYLOCOCCUS AUREUS COAD PANTHETHEINE PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASECYTOSOLIC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF INHIBITORS OF 4'-PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT) TO VALIDATE PPAT AS A TA ANTIBACTERIAL THERAPY. ANTIMICROB.AGENTS CHEMOTHER. V. 57 6005 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
2 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
3 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
4 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 0.051 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D ic50 = 546 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E ic50 = 320.6 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
26 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
27 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
29 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
30 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 0.051 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D ic50 = 546 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E ic50 = 320.6 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
25 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
29 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
30 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
31 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
32 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
33 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
34 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
35 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
36 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
37 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
38 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
39 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
41 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
42 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
43 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
45 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
46 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
47 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2W5; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2W5 1 1
2 2VJ 0.53 0.684932
3 2W3 0.519608 0.732394
Ligand no: 2; 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 : 4NAT; Ligand: 2W5; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 4nat.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4Z N2O None
2 5X3D 7XL None
3 3RV5 DXC None
4 4V2O CLQ None
5 2FKA BEF None
6 1L5Y BEF None
7 1UO5 PIH None
8 5BV6 35G None
9 2D24 XYS XYS None
10 5FUS DAO None
11 1UO4 PIH None
12 4F4S EFO None
13 2WMC MGP None
14 1FK5 OLA None
15 2BS5 BGC GAL FUC None
16 1ZEI CRS None
17 1UI0 URA None
18 1MT1 AG2 None
19 2BOS GLA GAL GLC NBU None
20 2BOS GLA GAL GLC None
21 3FGZ BEF None
22 1ELW GLY PRO THR ILE GLU GLU VAL ASP None
23 5DCH 1YO 1.25
24 3N7S 3N7 1.73913
25 3HL4 CDC 1.875
26 3GQK ATP 1.875
27 3G6N MET ALA SER 2.5
28 1ELI PYC 2.5
29 5OLK DTP 2.5
30 5X13 HC4 2.5
31 5ZI9 FLC 2.5
32 5VRH OLB 2.5
33 2X3F APC 2.5
34 6GNO XDI 2.96296
35 2VWA PTY 2.9703
36 2JFN UMA 3.125
37 5XJ7 87O 3.125
38 3GUZ PAF 3.125
39 2Y7P SAL 3.125
40 1S9D AFB 3.125
41 3X01 AMP 3.125
42 2HZL PYR 3.125
43 1SO2 666 3.125
44 1C9K 5GP 3.125
45 4URX FK1 3.75
46 6BVJ EAS 3.75
47 5C1M OLC 3.75
48 6BVM EBV 3.75
49 6BVL EBY 3.75
50 6BVK EAV 3.75
51 6BVI EC4 3.75
52 6CEP OXM 3.75
53 1YID ATP 3.75
54 5A07 GDP 3.75
55 3G58 988 3.75
56 2BP1 FLC 3.75
57 3C8Z 5CA 3.75
58 5DVP POA 3.75
59 4WGF HX2 3.75
60 3KP6 SAL 3.97351
61 5V03 658 4.02685
62 2X0K PPV 4.375
63 5NM7 GLY 4.375
64 5JOG 6LT 4.375
65 4UCC ZKW 4.375
66 5LNW RP5 4.375
67 2V0C LEU LMS 4.375
68 1XQP 8HG 4.375
69 4MRP GSH 4.375
70 6BJO DUY 4.8
71 1DTL BEP 5
72 5J32 IPM 5
73 4J24 EST 5
74 4J26 EST 5
75 2PID YSA 5
76 5L2R MLA 5
77 5AVF TAU 5
78 1YYE 196 5
79 3GLC R5P 5
80 1GJW GLC 5
81 2CYB TYR 5
82 5KJW 53C 5
83 1U3R 338 5
84 2Y7I ARG 5
85 3ZF8 GDP 5
86 5IUY BOG 5.625
87 1RJW ETF 5.625
88 5YJS SAL 5.625
89 3R9C ECL 5.625
90 5YEE LAB 5.625
91 1V59 NAD 5.625
92 5ZZB LAB 5.625
93 5N26 CPT 5.625
94 5ZZA LAB 5.625
95 4B1X LAB 5.625
96 1APZ ASP 5.67376
97 2WOR 2AN 6
98 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 6.06061
99 5Y0T TAT 6.25
100 5Y0Q APC 6.25
101 5Y0N ATP 6.25
102 1TV5 N8E 6.25
103 5ZCO PEK 6.25
104 1XF1 CIT 6.25
105 4UTU LRY 6.25
106 1NF8 BOG 6.25
107 1V47 ADX 6.25
108 5G48 1FL 6.25
109 4UTW RFW 6.25
110 3OQJ 3CX 6.875
111 3F8C HT1 7.14286
112 6E1Q CFA 7.5
113 2CIX CEJ 7.5
114 5V3Y 5V8 7.5
115 1XMY ROL 7.5
116 5X3R 7Y3 7.5
117 5OSW DIU 7.5
118 3B6C SDN 7.5
119 1XM4 PIL 7.5
120 4RF7 ARG 8.125
121 1RL4 BRR 8.125
122 5AHN IMP 8.125
123 5UC9 MYR 8.75
124 4NAE 1GP 8.75
125 3KO0 TFP 8.91089
126 4JMU 1ML 8.92857
127 2BCG GER 9.375
128 2WD7 VGD 9.375
129 3OKP GDD 9.375
130 1UJP CIT 9.375
131 3PMD 11A 9.80392
132 4TUZ 36J 10
133 5DXG EST 10
134 5DX3 EST 10
135 4MG9 27K 10
136 4TV1 36M 10
137 2H29 DND 10
138 2BHW NEX 10
139 2QA8 GEN 10
140 2QZO KN1 10
141 5WGQ EST 10
142 4MGB XDH 10
143 5CHR 4NC 10.219
144 1MID LAP 10.989
145 1KZL CRM 11.25
146 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 11.25
147 3CHT 4NB 11.25
148 5IM3 DTP 11.25
149 2P3V SRT 11.25
150 4Q0A 4OA 11.25
151 3WQM B29 11.875
152 4WOE ADP 11.875
153 3S6X SIA GAL BGC 11.875
154 4RYV ZEA 12.2581
155 3QSB 743 12.5
156 5TDF ADE 13.125
157 3ZIU LSS 13.125
158 1K4M NAD 13.75
159 1K4M CIT 13.75
160 3JQ3 ADP 13.75
161 2D5X L35 14.1844
162 3VV5 SLZ 14.375
163 4BKS X6C 14.375
164 3COW 52H 15
165 5OCA 9QZ 15.625
166 3W68 PBU 16.25
167 5LLT DND 16.875
168 2QTR NXX 17.5
169 4OGQ 7PH 18.125
170 4OGQ 1O2 18.125
171 5CLO NS8 18.6441
172 1YUM NCN 19.375
173 4YP5 NAP 20
174 1KQN NAD 22.5
175 1T0S BML 23.2558
176 5LX9 OLB 25
177 1N1D C2G 25.5814
178 1JIL 485 26.25
179 1F9A ATP 26.875
180 3CF6 SP1 35.625
Pocket No.: 2; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4nat.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NAT; Ligand: ADP; Similar sites found with APoc: 191
This union binding pocket(no: 3) in the query (biounit: 4nat.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6CB2 OLC None
2 4O4Z N2O None
3 5X3D 7XL None
4 3RV5 DXC None
5 4V2O CLQ None
6 2WMC MGP None
7 1UO5 PIH None
8 5BV6 35G None
9 2D24 XYS XYS None
10 5FUS DAO None
11 5U83 ZN8 None
12 1UO4 PIH None
13 4F4S EFO None
14 1FK5 OLA None
15 2BS5 BGC GAL FUC None
16 5N8V KZZ None
17 1ZEI CRS None
18 1UI0 URA None
19 1MT1 AG2 None
20 2BOS GLA GAL GLC NBU None
21 2BOS GLA GAL GLC None
22 1R1Q ACE ARG GLU PTR VAL ASN VAL None
23 2FKA BEF None
24 1ELW GLY PRO THR ILE GLU GLU VAL ASP None
25 2OZ5 7XY 1.25
26 5DCH 1YO 1.25
27 3N7S 3N7 1.73913
28 3HL4 CDC 1.875
29 3G6N MET ALA SER 2.5
30 1ELI PYC 2.5
31 5OLK DTP 2.5
32 2X3F APC 2.5
33 5X13 HC4 2.5
34 5VRH OLB 2.5
35 2VWA PTY 2.9703
36 2JFN UMA 3.125
37 5XJ7 87O 3.125
38 3GUZ PAF 3.125
39 1S9D AFB 3.125
40 3ZPG 5GP 3.125
41 1AXD GGL CYW GLY 3.125
42 2HZL PYR 3.125
43 1SO2 666 3.125
44 1C9K 5GP 3.125
45 1HBK MYR 3.37079
46 1UY4 XYP XYP XYP XYP 3.44828
47 4URX FK1 3.75
48 6BVM EBV 3.75
49 6BVK EAV 3.75
50 5W7B MYR 3.75
51 6BVJ EAS 3.75
52 5C1M CLR 3.75
53 5C1M OLC 3.75
54 6BVL EBY 3.75
55 6BVI EC4 3.75
56 6CEP OXM 3.75
57 1YID ATP 3.75
58 3G58 988 3.75
59 5A07 GDP 3.75
60 5DVP POA 3.75
61 2BP1 FLC 3.75
62 3C8Z 5CA 3.75
63 4WGF HX2 3.75
64 2F99 AKV 3.92157
65 3KP6 SAL 3.97351
66 5V03 658 4.02685
67 2X0K PPV 4.375
68 5NM7 GLY 4.375
69 5JOG 6LT 4.375
70 4I90 CHT 4.375
71 4UCC ZKW 4.375
72 5LNW RP5 4.375
73 2V0C LEU LMS 4.375
74 1A05 IPM 4.375
75 6A46 DCM 4.375
76 1XVB 3BR 4.375
77 1XQP 8HG 4.375
78 4MRP GSH 4.375
79 2W5P CL8 4.69799
80 6BJO DUY 4.8
81 3O01 DXC 5
82 4J24 EST 5
83 2NUN ADP 5
84 5J32 IPM 5
85 4J26 EST 5
86 5UNJ RJW 5
87 2PID YSA 5
88 2Y7I ARG 5
89 1GJW GLC 5
90 2CYB TYR 5
91 3ZF8 GDP 5
92 5IUY BOG 5.625
93 6BR8 PGV 5.625
94 3L1N PLM 5.625
95 3R9C ECL 5.625
96 5YEE LAB 5.625
97 4A59 AMP 5.625
98 5ZZB LAB 5.625
99 5N26 CPT 5.625
100 2CDP GAL AAL GAL AAL GAL AAL 5.625
101 4B1X LAB 5.625
102 1APZ ASP 5.67376
103 2WOR 2AN 6
104 5Y0Q APC 6.25
105 5Y0N ATP 6.25
106 5Y0T TAT 6.25
107 1TV5 N8E 6.25
108 3FAL REA 6.25
109 5Z84 CHD 6.25
110 1XF1 CIT 6.25
111 5W97 CHD 6.25
112 1V47 ADX 6.25
113 1NF8 BOG 6.25
114 5ZCO CHD 6.25
115 2Z49 AMG 6.25
116 5ZCO PEK 6.25
117 5Z84 PEK 6.25
118 4XNV BUR 6.875
119 3F8C HT1 7.14286
120 6E1Q CFA 7.5
121 2CIX CEJ 7.5
122 5V3Y 5V8 7.5
123 1XMY ROL 7.5
124 5X3R 7Y3 7.5
125 5OSW DIU 7.5
126 3B6C SDN 7.5
127 2UW1 GVM 7.5
128 1XM4 PIL 7.5
129 1RL4 BRR 8.125
130 1ZED PNP 8.125
131 3RMK BML 8.125
132 5UC9 MYR 8.75
133 5M36 9SZ 8.75
134 3KO0 TFP 8.91089
135 4JMU 1ML 8.92857
136 2BCG GER 9.375
137 5M37 9SZ 9.375
138 3PMD 11A 9.80392
139 4TUZ 36J 10
140 5DXG EST 10
141 5DX3 EST 10
142 4MG9 27K 10
143 4TV1 36M 10
144 2BHW NEX 10
145 2Y69 CHD 10
146 2H29 DND 10
147 2QA8 GEN 10
148 5WGQ EST 10
149 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 10
150 5CHR 4NC 10.219
151 3FSY SCA 10.241
152 1NU4 MLA 10.3093
153 1MID LAP 10.989
154 5IM3 DTP 11.25
155 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 11.25
156 3CHT 4NB 11.25
157 4Q0A 4OA 11.25
158 3RLF MAL 11.5486
159 3WQM B29 11.875
160 3S6X SIA GAL BGC 11.875
161 6BR9 PGV 11.875
162 4RYV ZEA 12.2581
163 3ZIU LSS 13.125
164 1K4M CIT 13.75
165 1K4M NAD 13.75
166 2D5X L35 14.1844
167 3VV5 SLZ 14.375
168 3COW 52H 15
169 5OCA 9QZ 15.625
170 4HPP GLU 15.625
171 1R6N 434 15.625
172 3W68 PBU 16.25
173 5LLT DND 16.875
174 2QTR NXX 17.5
175 4OGQ 7PH 18.125
176 4OGQ 1O2 18.125
177 5WSY 7UC 18.125
178 1M2Z BOG 18.125
179 5MWE TCE 18.5185
180 1YUM NCN 19.375
181 4YP5 NAP 20
182 6BMM OLB 20.625
183 1KQN NAD 22.5
184 1T0S BML 23.2558
185 5LX9 OLB 25
186 1N1D C2G 25.5814
187 1JIL 485 26.25
188 1F9A ATP 26.875
189 5LWY OLB 33.6134
190 1GEG GLC 35
191 3CF6 SP1 35.625
Pocket No.: 4; Query (leader) PDB : 4NAT; 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: 4) in the query (biounit: 4nat.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found with APoc: 50
This union binding pocket(no: 5) in the query (biounit: 4nat.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 3HCH RSM None
2 6B79 ORA None
3 5N8V KZZ None
4 1RV1 IMZ None
5 5NC1 NAG 1.875
6 3GCM 5GP 2.5
7 1HBK MYR 3.37079
8 1UY4 XYP XYP XYP XYP 3.44828
9 5CSS G3P 3.75
10 5NNS AKR 4.375
11 1A05 IPM 4.375
12 4QYS PLR 4.375
13 3O01 DXC 5
14 2XG5 EC2 5
15 2XG5 EC5 5
16 1WUU GLA 5
17 1VCE SAH 5
18 2ALG DAO 5.43478
19 5U5G 7VD 6.25
20 3FAL REA 6.25
21 4XNV BUR 6.875
22 3HQP FDP 6.875
23 3AFH GSU 6.875
24 4MAF ADX 6.875
25 1YC4 43P 7.5
26 5ZDK ATP 8.125
27 2X1L ADN 8.125
28 3RMK BML 8.125
29 2QHV OC9 8.125
30 4UBS DIF 8.125
31 2QHS OCA 8.125
32 3IWK NAD 8.125
33 1W8S FBP 8.125
34 2B99 RDL 8.33333
35 3BPX SAL 8.78378
36 3PN1 IVH 10
37 5XET ME8 10.625
38 4G86 BNT 11.875
39 1PFY MSP 13.125
40 3BFF FPM 13.75
41 6GMN F4E 14.375
42 3KFL ME8 14.375
43 5CX6 CDP 14.375
44 4HPP GLU 15.625
45 2GJ5 VD3 16.875
46 2QQC AG2 17.8571
47 5MWE TCE 18.5185
48 1N13 AG2 18.5841
49 2QQD AG2 18.75
50 6BMM OLB 20.625
Pocket No.: 6; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4nat.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4NAT; Ligand: ADP; Similar sites found with APoc: 64
This union binding pocket(no: 7) in the query (biounit: 4nat.bio1) has 78 residues
No: Leader PDB Ligand Sequence Similarity
1 5UGW GSH None
2 6B79 ORA None
3 5NNT DPV None
4 3HCH RSM None
5 4DE3 DN8 None
6 4V1F BQ1 None
7 1NXJ TLA None
8 4WG0 CHD None
9 4DW4 U5P None
10 1LQY BB2 None
11 5K52 OCD None
12 4V3I ASP LEU THR ARG PRO 1.16732
13 5NC1 NAG 1.875
14 5K53 STE 1.875
15 1FCZ 156 1.875
16 2HW2 RFP 2.0979
17 3GCM 5GP 2.5
18 2GWH PCI 2.5
19 3X01 AMP 3.125
20 2JHP GUN 3.125
21 5AZC PGT 3.75
22 4NTO 1PW 3.75
23 6D5V FVY 3.75
24 2OKL BB2 3.75
25 4RC8 STE 3.75
26 5YW5 ADE 4.375
27 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 4.59016
28 1DTL BEP 5
29 2XG5 EC2 5
30 2XG5 EC5 5
31 3G5K BB2 5
32 3GLC R5P 5
33 1RJW ETF 5.625
34 3FKQ ATP 5.625
35 4KCF AKM 5.625
36 3KPE TM3 5.88235
37 5C9J DAO 6.06061
38 5K7H IVC 6.25
39 1M48 FRG 6.76692
40 4DR9 BB2 6.875
41 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 7.5
42 6B21 C9V 7.5
43 3TDC 0EU 8.125
44 5ZDK ATP 8.125
45 6FS0 E4W 8.125
46 3SE5 ANP 8.75
47 4KVL PLM 8.75
48 4JE7 BB2 10
49 1G27 BB1 10
50 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 11.25
51 3UWB BB2 11.6883
52 4G86 BNT 11.875
53 6GL8 F3Q 11.875
54 3QSB 743 12.5
55 6FCX FAD 12.5
56 3KMR EQN 13.125
57 5CX6 CDP 14.375
58 6GMN F4E 14.375
59 3KFL ME8 14.375
60 3W54 RNB 16.25
61 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 16.875
62 4LSJ LSJ 18.125
63 2QQD AG2 18.75
64 4RJD TFP 25.7576
Pocket No.: 8; Query (leader) PDB : 4NAT; 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: 8) in the query (biounit: 4nat.bio1) has 78 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4NAT; Ligand: ADP; Similar sites found with APoc: 31
This union binding pocket(no: 9) in the query (biounit: 4nat.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 3T64 DU3 None
2 3GQK ATP 1.875
3 4NYT PC 2.5
4 3GD8 GOL 2.5
5 4XW2 SIM 3.125
6 1Q3A NGH 3.75
7 5KJW 53C 5
8 5L2R MLA 5
9 1WUU GLA 5
10 5HJQ I3P 5
11 5N26 73M 5.625
12 3HQ9 OXL 5.625
13 5YJS SAL 5.625
14 1V59 NAD 5.625
15 3OQJ 3CX 6.875
16 1LSH PLD 8.125
17 2QHV OC9 8.125
18 4UBS DIF 8.125
19 1W8S FBP 8.125
20 4RF7 ARG 8.125
21 4NAE 1GP 8.75
22 4RDL FUC GAL NDG FUC 9.375
23 3OKP GDD 9.375
24 3UUD EST 10
25 4MG8 27J 10
26 4TVD BGC 10.625
27 3NZ1 3NY 11.8774
28 6AOV SIA GAL NAG GAL NAG 13.125
29 5TDF ADE 13.125
30 1DL2 NAG NAG BMA 13.75
31 4BKS X6C 14.375
Pocket No.: 10; Query (leader) PDB : 4NAT; 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: 10) in the query (biounit: 4nat.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found with APoc: 23
This union binding pocket(no: 11) in the query (biounit: 4nat.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 6CB2 OLC None
2 3GD8 GOL 2.5
3 6GW4 CHO 3.75
4 2QM9 TDZ 3.87097
5 4P25 FUC GAL NAG FUC 4.375
6 1XVB 3BR 4.375
7 1ECM TSA 4.58716
8 2YJD YJD 5
9 5UNJ RJW 5
10 4W9N TCL 5.625
11 4XPQ FUL 6.25
12 2Z49 AMG 6.25
13 4RDL FUC GAL NDG FUC 9.375
14 4MGD 27N 10
15 4MG7 27H 10
16 4TVD BGC 10.625
17 3NZ1 3NY 11.8774
18 6FCX FAD 12.5
19 2XRH NIO 15
20 3FS1 MYR 16.875
21 4IA6 EIC 17.5
22 1PZL MYR 18.75
23 3T03 3T0 29.375
Pocket No.: 12; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4nat.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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