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Receptor
PDB id Resolution Class Description Source Keywords
1ZK4 1 Å EC: 1.1.1.2 STRUCTURE OF R-SPECIFIC ALCOHOL DEHYDROGENASE (WILDTYPE) FRO LACTOBACILLUS BREVIS IN COMPLEX WITH ACETOPHENONE AND NADP LACTOBACILLUS BREVIS SHORT CHAIN REDUCTASES/DEHYDROGENASES MAGNESIUM DEPENDENCESPECIFIC ALCOHOL DEHYDROGENASE OXIDOREDUCTASE
Ref.: ATOMIC RESOLUTION STRUCTURES OF R-SPECIFIC ALCOHOL DEHYDROGENASE FROM LACTOBACILLUS BREVIS PROVIDE THE STRUCTURAL BASES OF ITS SUBSTRATE AND COSUBSTRATE SPECIFICITY J.MOL.BIOL. V. 349 801 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AC0 A:1260;
Valid;
none;
submit data
120.149 C8 H8 O CC(=O...
MG A:1252;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NAP A:1270;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZK4 1 Å EC: 1.1.1.2 STRUCTURE OF R-SPECIFIC ALCOHOL DEHYDROGENASE (WILDTYPE) FRO LACTOBACILLUS BREVIS IN COMPLEX WITH ACETOPHENONE AND NADP LACTOBACILLUS BREVIS SHORT CHAIN REDUCTASES/DEHYDROGENASES MAGNESIUM DEPENDENCESPECIFIC ALCOHOL DEHYDROGENASE OXIDOREDUCTASE
Ref.: ATOMIC RESOLUTION STRUCTURES OF R-SPECIFIC ALCOHOL DEHYDROGENASE FROM LACTOBACILLUS BREVIS PROVIDE THE STRUCTURAL BASES OF ITS SUBSTRATE AND COSUBSTRATE SPECIFICITY J.MOL.BIOL. V. 349 801 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
5 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
5 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
3 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
4 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
9 3LQF - MRY C4 H10 O4 C([C@H]([C....
10 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AC0; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 AC0 1 1
2 BZQ 0.52 0.7
3 I1E 0.482759 0.727273
Ligand no: 2; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZK4; Ligand: AC0; Similar sites found with APoc: 524
This union binding pocket(no: 1) in the query (biounit: 1zk4.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4C1K PEP 0.796813
2 3UYW TAU 0.934579
3 2WE5 ADP 1.19522
4 5ZZ6 ADP 1.44231
5 5ZZ6 NAD 1.44231
6 1PL6 NAD 1.59363
7 3O7W SAM 1.59363
8 3C1O NAP 1.59363
9 4C4A SAH 1.59363
10 5N0L ILE 1.88679
11 3RFV NAI 1.99203
12 3RFV 15L 1.99203
13 4CP8 MLI 1.99203
14 5YLF BGC 1.99203
15 1GUZ NAD 1.99203
16 1B8U NAD 1.99203
17 3MB5 SAM 1.99203
18 3GFB NAD 1.99203
19 2PV7 NAD 1.99203
20 2EG5 SAH 1.99203
21 3M89 GSP 1.99203
22 2AF6 BRU 1.99203
23 1LLU NAD 1.99203
24 2WPB ZZI 1.99203
25 3A4V PYR 2.39044
26 3A4V NAD 2.39044
27 2Q46 NAP 2.39044
28 5K4W NAI 2.39044
29 5K4W THR 2.39044
30 2JL1 NAP 2.39044
31 1V6A TRE 2.39044
32 3VPH NAD 2.39044
33 1PJS NAD 2.39044
34 3VPH OXM 2.39044
35 1RM4 NDP 2.39044
36 6CEP NAD 2.39044
37 3EVG SAH 2.39044
38 4GKY MAN 2.39044
39 1GAD NAD 2.39044
40 6CEP OXM 2.39044
41 3BAZ NAP 2.39044
42 2P41 SAH 2.39044
43 2JHP SAH 2.39044
44 3CIF NAD 2.39044
45 5O9F 9ON 2.39044
46 5O96 SAM 2.44898
47 5TQZ GLC 2.66667
48 2HMT NAI 2.77778
49 4PVD NDP 2.78884
50 3ORF NAD 2.78884
51 4ZNO SUC 2.78884
52 1FP2 SAH 2.78884
53 3GXO SAH 2.78884
54 3H8V ATP 2.78884
55 4RDH AMP 2.78884
56 1LDM NAD 2.78884
57 3B20 NAD 2.78884
58 4KOA NDP 2.78884
59 4GKV NAD 2.78884
60 3GWZ SAH 2.78884
61 2DBZ NAP 2.78884
62 3VYW SAM 2.78884
63 4DPL NAP 2.78884
64 2D2I NAP 2.78884
65 1TB4 PEJ 2.78884
66 5OOH NAP 2.91262
67 5OOH 9ZZ 2.91262
68 2XVM SAH 3.01508
69 4UTW RFW 3.05677
70 3FRQ ERY 3.07692
71 4XB2 NDP 3.18725
72 4E13 NAD 3.18725
73 3FSY SCA 3.18725
74 3VPD CIT 3.18725
75 4XB2 HSE 3.18725
76 5EXK 5AD 3.18725
77 4A6D SAM 3.18725
78 1YS4 NAP 3.18725
79 5AYV NAP 3.18725
80 5UR0 NAD 3.18725
81 4NEC SAH 3.18725
82 2J6U DGT 3.18725
83 3V1Y NAD 3.18725
84 1ZHS NAG NAG BMA MAN MAN 3.53982
85 5Y1G AKB 3.58566
86 5Y1G NAD 3.58566
87 2YY7 NAD 3.58566
88 1GY8 NAD 3.58566
89 3B1F NAD 3.58566
90 2GZ3 NAP 3.58566
91 3K5I AIR 3.58566
92 1XDS SAM 3.58566
93 4LWP SAH 3.58566
94 4KRG SAH 3.58566
95 4D79 ATP 3.62319
96 2VDV SAM 3.65854
97 2BKA NDP 3.71901
98 5ZI2 NAD 3.76812
99 5ZI2 ADP 3.76812
100 6BWL NAD 3.98406
101 5Z75 NAD 3.98406
102 4U7W NDP 3.98406
103 4ZGS NAD 3.98406
104 6BWL UDP 3.98406
105 5WP5 SAH 3.98406
106 5IN3 G1P 3.98406
107 6AC9 ANP 3.98406
108 5N9X THR 3.98406
109 6A0S HSE 3.98406
110 6A0S NDP 3.98406
111 1X87 NAD 3.98406
112 5FAW CHT 3.98406
113 1YB5 NAP 3.98406
114 3T7S SAM 3.98406
115 1QZZ SAM 3.98406
116 2IVD ACJ 3.98406
117 4IJP 1EH 3.98406
118 2QZZ NAP 3.98406
119 2QZZ EMF 3.98406
120 3WV8 ATP 4.12844
121 1T3D CYS 4.15225
122 5YEC ATP 4.20168
123 6DNT NAD 4.38247
124 1EQ2 NAP 4.38247
125 2V6G NAP 4.38247
126 2C5A NAD 4.38247
127 2C5A GDC 4.38247
128 5MDH NAD 4.38247
129 3L9W AMP 4.38247
130 5JAQ NAI 4.38247
131 2VUT NAD 4.38247
132 1R6D DAU 4.38247
133 4ZVV NAD 4.38247
134 1TI7 NAP 4.38247
135 5OJL TXP 4.38247
136 1R6D NAD 4.38247
137 6C4T NA7 4.38247
138 4ZVV GN0 4.38247
139 1ZGS XMM 4.38247
140 1I36 NAP 4.38247
141 4MDH NAD 4.38247
142 5JE8 NAD 4.38247
143 3GCZ SAM 4.38247
144 6BII NAP 4.38247
145 1BW9 NAD 4.38247
146 4OM8 NAD 4.38247
147 1E5Q SHR 4.38247
148 4NAE 1GP 4.44444
149 1EJ0 SAM 4.44444
150 3LU1 NAD 4.78088
151 5FA5 MTA 4.78088
152 6C4N NAP 4.78088
153 5A1T NAI 4.78088
154 1RZM E4P 4.78088
155 1CER NAD 4.78088
156 1PZG A3D 4.78088
157 2PWY SAH 4.78088
158 4M37 SAH 4.78088
159 4M38 SAH 4.78088
160 1GQ2 NAP 4.78088
161 5A1T OXM 4.78088
162 3T0W DIW 4.87805
163 3C3Y SAH 5.06329
164 2X6T NAP 5.17928
165 5CAE COA 5.17928
166 3ABI NAD 5.17928
167 5OCM NAP 5.17928
168 1NVM NAD 5.17928
169 5ZDN CDP 5.21327
170 3KP6 SAL 5.29801
171 1HDR NAD 5.32787
172 1C3M MAN MAN 5.44218
173 2DC1 NAD 5.50847
174 5MSO NAP 5.57769
175 1WVG APR 5.57769
176 1BXK NAD 5.57769
177 2Q1W NAD 5.57769
178 1KEW NAD 5.57769
179 1KEW TYD 5.57769
180 1V35 NAI 5.57769
181 5DF1 58X 5.57769
182 5DF1 NAP 5.57769
183 1A5Z NAD 5.57769
184 5WP4 SAH 5.57769
185 1ZQ9 SAM 5.57769
186 2UYQ SAM 5.57769
187 2CVQ NDP 5.57769
188 2CDU ADP 5.57769
189 4PLG OXM 5.57769
190 4PLG NAI 5.57769
191 2GVV DI9 5.57769
192 4YCA NDP 5.57769
193 4PLT NAI 5.57769
194 4PLT OXM 5.57769
195 5H81 NAP 5.57769
196 2VT3 ATP 5.5814
197 1T66 FLU 5.93607
198 1SB8 NAD 5.9761
199 1SB8 UD2 5.9761
200 4ISS TAR 5.9761
201 5C9P FUC 5.9761
202 2EFJ SAH 5.9761
203 5LD5 NAD 5.9761
204 2X05 X05 5.9761
205 1ORR NAD 6.3745
206 3KO8 NAD 6.3745
207 2PZM NAD 6.3745
208 2PZM UDP 6.3745
209 5NUF NAD 6.3745
210 9LDT NAD 6.3745
211 3OJO NAD 6.3745
212 9LDB NAD 6.3745
213 5NUE NAD 6.3745
214 5E9W SAH 6.3745
215 5E8J SAH 6.3745
216 2VYN NAD 6.3745
217 2D5X L35 6.38298
218 5EES NAP 6.47773
219 4O1M NAD 6.77291
220 1D7O NAD 6.77291
221 1D7O TCL 6.77291
222 3LST SAH 6.77291
223 1LDN NAD 6.77291
224 6FDF SAH 6.77291
225 1DSS NAD 6.77291
226 3LCC SAH 6.80851
227 1O6Z NAD 6.93069
228 4R1S NAP 7.17131
229 5IN4 6CK 7.17131
230 5IN4 GDP 7.17131
231 5IN4 NAP 7.17131
232 1VL0 NAI 7.17131
233 5KKA 6V0 7.17131
234 3I6I NDP 7.17131
235 6AA8 NAD 7.17131
236 5W3Y ACO 7.17131
237 3T31 DCQ 7.17131
238 3T31 FAD 7.17131
239 3G89 SAM 7.22892
240 1E7S NAP 7.56972
241 5MLR GRQ 7.56972
242 5MLR NAP 7.56972
243 1OC2 TDX 7.56972
244 1OC2 NAD 7.56972
245 1CF2 NAP 7.56972
246 1UXG NAD 7.56972
247 1UXG FUM 7.56972
248 5XVH NAP 7.56972
249 1H8S AIC 7.56972
250 1EBF NAD 7.56972
251 5XNC MTA 7.56972
252 2Y6Q FAD 7.56972
253 1DRV A3D 7.69231
254 3WMX NAD 7.96813
255 4R5M NAP 7.96813
256 5A0U CHT 7.96813
257 2DUR MAN MAN 7.96813
258 4R5M 4NO 7.96813
259 1T26 GBD 7.96813
260 1T26 NAI 7.96813
261 4D3F NAP 7.96813
262 1U1I NAD 7.96813
263 4MA6 28E 8.28025
264 5BJX NAD 8.36653
265 5BJX UDP 8.36653
266 2F1K NAP 8.36653
267 2OOR NAD 8.36653
268 2A92 NAI 8.36653
269 1KYZ SAH 8.36653
270 3QV1 NAD 8.53659
271 4GLL NAD 8.76494
272 5LKC FUC GLA A2G 8.76494
273 1LTH NAD 8.76494
274 1UDB NAD 8.76494
275 1UDB UFG 8.76494
276 1EZ4 NAD 8.76494
277 1KYQ NAD 8.76494
278 5F8F SFG 8.76494
279 1VM6 NAD 8.77193
280 5XWV NDP 8.87097
281 5XWV 8H6 8.87097
282 6FLZ MMA 9.02778
283 6EL3 NAP 9.16335
284 1GV0 NAD 9.16335
285 1J5P NAD 9.16335
286 1MUU NAD 9.16335
287 1MV8 NAD 9.16335
288 3GU3 SAH 9.16335
289 5N2I NAP 9.48276
290 5F5N NAD 9.56175
291 2HJR APR 9.56175
292 2NU8 COA 9.56175
293 1HYH NAD 9.56175
294 3TKY SAH 9.56175
295 2G5C NAD 9.96016
296 3GGO NAI 9.96016
297 2WA2 SAM 9.96016
298 2C29 NAP 10.3586
299 2C29 DQH 10.3586
300 2HK9 ATR 10.3586
301 2HYQ MAN MAN 10.6557
302 2GUD MAN 10.6557
303 2GUD BMA 10.6557
304 2NU5 NAG 10.6557
305 2GUC MAN 10.6557
306 2NUO BGC 10.6557
307 2HYR BGC GLC 10.6557
308 3X0D SAH 10.757
309 5BW4 SAM 11.1554
310 2EXX NAP 11.1554
311 2HIM ASN 11.1554
312 2HIM ASP 11.1554
313 4K55 H6P 11.2903
314 3KIF GDL 11.3208
315 2GN4 NDP 11.5538
316 2GN4 UD1 11.5538
317 2I3G NAP 11.5538
318 1RV1 IMZ 11.7647
319 2FR1 NDP 11.9342
320 2PK3 A2R 11.9522
321 4G5H NAP 11.9522
322 4G5H UD7 11.9522
323 1I2B NAD 11.9522
324 1I2B UPG 11.9522
325 1I2B USQ 11.9522
326 1SOW NAD 11.9522
327 2YP9 SIA CMO 11.9522
328 1UP7 NAD 11.9522
329 4HXY NDP 12.3288
330 1RKX NAD 12.3506
331 1EK6 NAI 12.3506
332 1EK6 UPG 12.3506
333 1RPN NDP 12.3506
334 5L4L NAP 12.3506
335 1HYE NAP 12.3506
336 5L4L 7OX 12.3506
337 2DFV NAD 12.3506
338 4TQG NDP 12.749
339 4EUE NAI 12.749
340 3ICS ADP 12.749
341 3ICT ADP 12.749
342 2Q1S NAI 13.1474
343 1FP1 SAH 13.1474
344 1CM8 ANP 13.5458
345 1LUA NAP 13.5458
346 4ZRN NAD 13.9442
347 4ZRN UPG 13.9442
348 1WP4 NDP 15.5378
349 4CNO 9PY 16.3347
350 4PIV NDP 16.7331
351 5L53 NAP 17.1315
352 1N7G GDR 17.1315
353 1N7G NDP 17.1315
354 1F8G NAD 17.1315
355 1NE7 16G 17.5299
356 3O26 NDP 17.9283
357 1Z45 NAD 18.3267
358 5TVI O8N 18.4783
359 5L4S NAP 18.7251
360 5L4S 6KX 18.7251
361 4Q9N NAI 19.5219
362 1ZGA SAH 19.9203
363 1WDK NAD 20.3187
364 2DKN NAI 20.7171
365 5L95 AMP 21.25
366 1FK8 NAD 21.5139
367 4OHU 2TK 21.5139
368 4OHU NAD 21.5139
369 1NNU NAD 23.3333
370 1NNU TCT 23.3333
371 3A06 NDP 23.9044
372 4J1Q NDP 24.3028
373 1WMA NDP 25.0996
374 1WMA AB3 25.0996
375 1N5D NDP 25.498
376 4K26 NDP 25.8964
377 4K26 SFF 25.8964
378 3CH6 311 26.2948
379 3CH6 NAP 26.2948
380 3WXB NDP 27.49
381 1XSE NDP 27.8884
382 1LSS NAD 30.7143
383 3RJ5 NAD 32.6693
384 1Z6Z NAP 33.0677
385 4J7U YTZ 33.0677
386 4J7U NAP 33.0677
387 5I7S NAD 33.4661
388 5I7S E9P 33.4661
389 1GZ6 NAI 34.2629
390 1SNY NAP 34.2629
391 5WQP NCA 35.0427
392 5WQP NAP 35.0427
393 1OAA OAA 35.0598
394 4YAG NAI 35.8566
395 3HB5 NAP 36.6534
396 3HB5 E2B 36.6534
397 2BD0 NAP 36.8852
398 2BD0 BIO 36.8852
399 1A27 NAP 37.0518
400 4Y9D NAI 37.8486
401 5CG1 NAD BBN 38.247
402 1QG6 NAD 38.247
403 1QG6 TCL 38.247
404 5GT9 NAP 38.6454
405 3TN7 NJP 39.0438
406 2JAH NDP 39.2713
407 4IXW IXW 39.8406
408 2JAP NDP 40.081
409 2JAP J01 40.081
410 4D42 W0I 40.239
411 4D42 NAP 40.239
412 3OJF NDP 40.6375
413 3OJF IMJ 40.6375
414 3OIG NAD 42.2311
415 3RKR NAP 42.6295
416 2PD4 DCN 42.6295
417 2PD4 NAD 42.6295
418 3GEG NAD 42.915
419 2GDZ NAD 43.0279
420 2WYV NAD 43.0279
421 1MXH DHF 43.8247
422 1MXH NAP 43.8247
423 1W8D NAP 44.2231
424 1W73 NAP 44.2231
425 3OID NDP 44.2231
426 3OID TCL 44.2231
427 3AFN NAP 44.5736
428 5O98 NAP 44.6215
429 3U4C NDP 44.6215
430 4ZU3 4SD 44.9339
431 3SJU NDP 45.0199
432 5OVK NDP 45.0199
433 5OVL NAP 45.4183
434 1BDB NAD 45.4183
435 4FC7 NAP 45.4183
436 4FC7 COA 45.4183
437 3V1U NAD 45.4183
438 1W6U NAP 45.8167
439 1JA9 NDP 45.8167
440 1XG5 NAP 45.8167
441 1ZBQ NAD 45.8167
442 1JA9 PYQ 45.8167
443 4O0L NDP 46.1818
444 4KWI NAP 46.2151
445 4KWI 1TJ 46.2151
446 1UAY ADN 46.281
447 5Z2L NDP 46.5306
448 5WUW NAP 46.6135
449 5THQ NDP 46.6912
450 4YAC NAI 47.012
451 2WD7 NAP 47.012
452 5G4L NDP 47.012
453 2VZ0 D64 47.012
454 2VZ0 NAP 47.012
455 2WD7 VGD 47.012
456 6CI9 NAP 47.4104
457 4FN4 NAD 47.4104
458 4CM9 NAP 47.4104
459 4CLO NAP 47.4104
460 3BMN NAP 47.4104
461 5K6A NAP 47.4104
462 3JQA NAP 47.4104
463 5JDC NAP 47.4104
464 5JCJ NAP 47.4104
465 4CM8 NAP 47.4104
466 4CMI NAP 47.4104
467 5JDI NAP 47.4104
468 3JQG NAP 47.4104
469 3JQF NAP 47.4104
470 3BMO NAP 47.4104
471 3JQ8 NAP 47.4104
472 6CI9 F3V 47.4104
473 3BMQ NAP 47.4104
474 4CME NAP 47.4104
475 1YXM ADE 47.4104
476 4CLR NAP 47.4104
477 3JQ9 NAP 47.4104
478 4CM4 NAP 47.4104
479 3JQ7 NAP 47.4104
480 3JQB NAP 47.4104
481 5JDI 6JO 47.4104
482 3JQ8 DX3 47.4104
483 4CME KTZ 47.4104
484 5JCJ 6JM 47.4104
485 3JQB DX6 47.4104
486 5K6A 6QT 47.4104
487 4CM9 YGL 47.4104
488 5JDC 6JP 47.4104
489 4CM8 IZ9 47.4104
490 3JQ9 AX1 47.4104
491 4CMI M4V 47.4104
492 3JQG AX6 47.4104
493 4CM4 4NR 47.4104
494 3JQ7 DX2 47.4104
495 3BMQ AX5 47.4104
496 4CLO XP0 47.4104
497 3BMN AX3 47.4104
498 2EWM NAD 47.7912
499 3ZV6 4HB 47.8088
500 3ZV6 NAD 47.8088
501 3QWI NAP 47.8088
502 5GWT SIN 47.8088
503 5GWT NAD 47.8088
504 3QWI CUE 47.8088
505 1Q7B NAP 47.9508
506 1UZN NAP 48.1781
507 1H5Q NAP 48.2072
508 3ICC NAP 48.2072
509 2B4Q NAP 48.2072
510 2RH4 EMO 48.2072
511 1PR9 NAP 48.3607
512 3D3W NAP 48.3607
513 3A28 NAD 48.6056
514 3H4V DVP 48.6056
515 3H4V NAP 48.6056
516 1E3W NAD 49.4024
517 1E6W NAD 49.4024
518 1U7T TDT 49.4024
519 3SJ7 NDP 49.4024
520 1U7T NAD 49.4024
521 5T2U NAP 49.5968
522 4OSP NAP 49.8008
523 5YSS NAD 49.8008
524 4OSP 2V4 49.8008
Pocket No.: 2; Query (leader) PDB : 1ZK4; Ligand: AC0; 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: 1zk4.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ZK4; Ligand: AC0; 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: 1zk4.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ZK4; Ligand: AC0; 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: 1zk4.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ZK4; Ligand: NAP; Similar sites found with APoc: 645
This union binding pocket(no: 5) in the query (biounit: 1zk4.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4C1K PEP 0.796813
2 5XLX SAH 0.796813
3 2WE5 ADP 1.19522
4 5W7M SAH 1.28205
5 5ZZ6 ADP 1.44231
6 5ZZ6 NAD 1.44231
7 1PL6 NAD 1.59363
8 3O7W SAM 1.59363
9 3C1O NAP 1.59363
10 4C4A SAH 1.59363
11 1PL6 572 1.59363
12 5N0L ILE 1.88679
13 3RFV NAI 1.99203
14 3RFV 15L 1.99203
15 4CP8 MLI 1.99203
16 1GUZ NAD 1.99203
17 1B8U NAD 1.99203
18 3GFB NAD 1.99203
19 2EG5 SAH 1.99203
20 3MB5 SAM 1.99203
21 2PV7 NAD 1.99203
22 1LLU NAD 1.99203
23 3M89 GSP 1.99203
24 5YLF BGC 1.99203
25 5ERG SAM 1.99203
26 5W7K SAH 1.99203
27 5Y8L NAD 1.99203
28 5DNK SAH 1.99203
29 2AF6 BRU 1.99203
30 2WPB ZZI 1.99203
31 6C5B SAH 1.99203
32 4FZV SAM 1.99203
33 3BXO SAM 2.09205
34 3A4V PYR 2.39044
35 3A4V NAD 2.39044
36 2Q46 NAP 2.39044
37 5K4W NAI 2.39044
38 5K4W THR 2.39044
39 2JL1 NAP 2.39044
40 1V6A TRE 2.39044
41 3VPH NAD 2.39044
42 1PJS NAD 2.39044
43 3VPH OXM 2.39044
44 6CEP NAD 2.39044
45 3EVG SAH 2.39044
46 6CEP OXM 2.39044
47 2JHP SAH 2.39044
48 3BAZ NAP 2.39044
49 1RM4 NDP 2.39044
50 2P41 SAH 2.39044
51 3G2O SAM 2.39044
52 5JJR SAH 2.39044
53 4TXI FAD 2.39044
54 3CIF NAD 2.39044
55 1SC6 NAD 2.39044
56 3G6M CFF 2.39044
57 5O9F NAD 2.39044
58 5O9F 9ON 2.39044
59 1GAD NAD 2.39044
60 5Y77 FAD 2.39044
61 2BRY FAD 2.39044
62 1D1T NAD 2.39044
63 5O96 SAM 2.44898
64 5TVA AMP 2.5
65 3OA2 NAD 2.51572
66 3P2E SAH 2.66667
67 2HMT NAI 2.77778
68 4PVD NDP 2.78884
69 3ORF NAD 2.78884
70 1FP2 SAH 2.78884
71 3H8V ATP 2.78884
72 2IZ1 ATR 2.78884
73 4KOA NDP 2.78884
74 4RDH AMP 2.78884
75 1LDM NAD 2.78884
76 3GWZ SAH 2.78884
77 4DPL NAP 2.78884
78 3B20 NAD 2.78884
79 3GXO SAH 2.78884
80 4GKV NAD 2.78884
81 1LFW AEP 2.78884
82 4RDI ATP 2.78884
83 2DBZ NAP 2.78884
84 1J0X NAD 2.78884
85 3VYW SAM 2.78884
86 1TB4 PEJ 2.78884
87 1RJD SAM 2.78884
88 2D2I NAP 2.78884
89 5OOH 9ZZ 2.91262
90 5OOH NAP 2.91262
91 2XVM SAH 3.01508
92 5LW0 AR6 3.0303
93 4UTW RFW 3.05677
94 3FRQ ERY 3.07692
95 4XB2 NDP 3.18725
96 4E13 NAD 3.18725
97 3FSY SCA 3.18725
98 3VPD CIT 3.18725
99 4XB2 HSE 3.18725
100 5AYV NAP 3.18725
101 4A6D SAM 3.18725
102 1P77 ATR 3.18725
103 1YS4 NAP 3.18725
104 5UR0 NAD 3.18725
105 4NEC SAH 3.18725
106 3KB6 NAD 3.18725
107 3VIU ADP 3.18725
108 2CVZ NDP 3.18725
109 1SQF SAM 3.18725
110 3V1Y NAD 3.18725
111 4N49 SAM 3.18725
112 5EXK 5AD 3.18725
113 5Z20 NAI 3.18725
114 3L4S NAD 3.18725
115 3L4S 3PG 3.18725
116 1IM8 SAI 3.27869
117 2DT5 NAD 3.31754
118 1ZHS NAG NAG BMA MAN MAN 3.53982
119 5Y1G AKB 3.58566
120 5Y1G NAD 3.58566
121 2YY7 NAD 3.58566
122 1GY8 NAD 3.58566
123 3B1F NAD 3.58566
124 1XDS SAM 3.58566
125 5MPT SAH 3.58566
126 4KRG SAH 3.58566
127 4AQ4 G3P 3.58566
128 3K5I AIR 3.58566
129 4Z0H NAD 3.58566
130 4LWP SAH 3.58566
131 5Z21 NAI 3.58566
132 1E1M FAD 3.58566
133 1E1M NAP 3.58566
134 5N6C NAD 3.58566
135 5EIN NAP 3.58566
136 4L8V NAP 3.58566
137 2GZ3 NAP 3.58566
138 4D79 ATP 3.62319
139 4JWK CTN 3.62694
140 2VDV SAM 3.65854
141 2BKA NDP 3.71901
142 5ZI2 NAD 3.76812
143 5ZI2 ADP 3.76812
144 5Z75 NAD 3.98406
145 6BWL NAD 3.98406
146 4U7W NDP 3.98406
147 4ZGS NAD 3.98406
148 5WP5 SAH 3.98406
149 1QZZ SAM 3.98406
150 6BWL UDP 3.98406
151 1X87 NAD 3.98406
152 3T7S SAM 3.98406
153 6A0S NDP 3.98406
154 6A0S HSE 3.98406
155 3H5N ATP 3.98406
156 6D6Y SAH 3.98406
157 1YB5 NAP 3.98406
158 5IN3 G1P 3.98406
159 5W7R SAH 3.98406
160 5UAV TFB 3.98406
161 5FAW CHT 3.98406
162 2WPF FAD 3.98406
163 2WPF WPF 3.98406
164 6C8R SAH 3.98406
165 5UAV NDP 3.98406
166 2IXB NAD 3.98406
167 2IVD ACJ 3.98406
168 4IJP 1EH 3.98406
169 2O1C PPV 4
170 3WV8 ATP 4.12844
171 1T3D CYS 4.15225
172 5YEC ATP 4.20168
173 1P31 EPU 4.21053
174 1OFS SUC 4.27807
175 6DNT NAD 4.38247
176 1EQ2 NAP 4.38247
177 2V6G NAP 4.38247
178 3L9W AMP 4.38247
179 2C5A NAD 4.38247
180 2C5A GDC 4.38247
181 5MDH NAD 4.38247
182 6C4T NA7 4.38247
183 5JAQ NAI 4.38247
184 5OJL TXP 4.38247
185 1R6D DAU 4.38247
186 4ZVV NAD 4.38247
187 2VUT NAD 4.38247
188 1TI7 NAP 4.38247
189 1R6D NAD 4.38247
190 4MDH NAD 4.38247
191 4ZVV GN0 4.38247
192 6BII NAP 4.38247
193 1BW9 NAD 4.38247
194 1I36 NAP 4.38247
195 1ZGS XMM 4.38247
196 3GCZ SAM 4.38247
197 1C1X NAD 4.38247
198 5AOV NAP 4.38247
199 5JE8 NAD 4.38247
200 4RLQ 3SK 4.38247
201 1BXG NAD 4.38247
202 4OM8 NAD 4.38247
203 1RJW ETF 4.38247
204 1E5Q SHR 4.38247
205 1EJ0 SAM 4.44444
206 4NAE 1GP 4.44444
207 4PNE SAH 4.63576
208 4OBW SAM 4.66926
209 3A3B RBF 4.73684
210 3A3B FMN 4.73684
211 3LU1 NAD 4.78088
212 5A1T NAI 4.78088
213 5FA5 MTA 4.78088
214 6C4N NAP 4.78088
215 4M37 SAH 4.78088
216 4M38 SAH 4.78088
217 1RZM E4P 4.78088
218 5A1T OXM 4.78088
219 2PWY SAH 4.78088
220 3BP1 GUN 4.78088
221 3T4L ZEA 4.78088
222 6C4M NAP 4.78088
223 1VKO NAD 4.78088
224 4GQB 0XU 4.78088
225 6ECU SAH 4.78088
226 1PZG A3D 4.78088
227 5H4S RAM 4.78088
228 1CER NAD 4.78088
229 6ECW SAH 4.78088
230 1GQ2 NAP 4.78088
231 2NV2 GLN 4.78088
232 3T0W DIW 4.87805
233 3C3Y SAH 5.06329
234 2X6T NAP 5.17928
235 5CAE COA 5.17928
236 3ABI NAD 5.17928
237 1NVM NAD 5.17928
238 5OCM NAP 5.17928
239 4RDL FUC GAL NDG FUC 5.17928
240 1X14 NAD 5.17928
241 1RM0 NAI 5.17928
242 4E5N NAD 5.17928
243 1RM0 D6P 5.17928
244 1NPD NAD 5.17928
245 5ZDN CDP 5.21327
246 4QTU SAM 5.28846
247 3KP6 SAL 5.29801
248 1HDR NAD 5.32787
249 1C3M MAN MAN 5.44218
250 2DC1 NAD 5.50847
251 5MSO NAP 5.57769
252 1WVG APR 5.57769
253 1BXK NAD 5.57769
254 2Q1W NAD 5.57769
255 1KEW NAD 5.57769
256 1KEW TYD 5.57769
257 1V35 NAI 5.57769
258 5DF1 NAP 5.57769
259 5DF1 58X 5.57769
260 1A5Z NAD 5.57769
261 5WP4 SAH 5.57769
262 2UYQ SAM 5.57769
263 2CDU ADP 5.57769
264 2CVQ NDP 5.57769
265 4YCA NDP 5.57769
266 4PLG OXM 5.57769
267 4PLG NAI 5.57769
268 4PLT NAI 5.57769
269 5TC4 NAD 5.57769
270 1Y8Q ATP 5.57769
271 4PLT OXM 5.57769
272 1DJN ADP 5.57769
273 4WOE 3S5 5.57769
274 5H81 NAP 5.57769
275 1ZQ9 SAM 5.57769
276 4RQU NAD 5.57769
277 2VT3 ATP 5.5814
278 1T66 FLU 5.93607
279 1SB8 NAD 5.9761
280 1SB8 UD2 5.9761
281 4ISS TAR 5.9761
282 2EFJ SAH 5.9761
283 5LD5 NAD 5.9761
284 4CJX NAP 5.9761
285 5C9P FUC 5.9761
286 1O0S NAI 5.9761
287 1ORR NAD 6.3745
288 3KO8 NAD 6.3745
289 2PZM UDP 6.3745
290 2PZM NAD 6.3745
291 5NUF NAD 6.3745
292 3OJO NAD 6.3745
293 9LDT NAD 6.3745
294 9LDB NAD 6.3745
295 4LHD GLY 6.3745
296 5NUE NAD 6.3745
297 5E9W SAH 6.3745
298 2WW4 ADP 6.3745
299 2VYN NAD 6.3745
300 5E8J SAH 6.3745
301 4UCI SAM 6.3745
302 2D5X L35 6.38298
303 3MQ2 SAH 6.42202
304 5EES NAP 6.47773
305 2PXX SAH 6.51163
306 4O1M NAD 6.77291
307 1D7O NAD 6.77291
308 1D7O TCL 6.77291
309 3LST SAH 6.77291
310 1LDN NAD 6.77291
311 1DSS NAD 6.77291
312 3DLS ADP 6.77291
313 1O94 ADP 6.77291
314 4JK3 NAD 6.77291
315 6FDF SAH 6.77291
316 4B4U NAP 6.77291
317 2ON5 GSH 6.79612
318 3LCC SAH 6.80851
319 1O6Z NAD 6.93069
320 4R1S NAP 7.17131
321 5IN4 6CK 7.17131
322 5IN4 GDP 7.17131
323 5IN4 NAP 7.17131
324 1VL0 NAI 7.17131
325 5KKA 6V0 7.17131
326 3I6I NDP 7.17131
327 6AA8 NAD 7.17131
328 3I53 SAH 7.17131
329 3T31 DCQ 7.17131
330 3T31 FAD 7.17131
331 5W3Y ACO 7.17131
332 3G89 SAM 7.22892
333 2Y2B AH0 7.48663
334 1E7S NAP 7.56972
335 5MLR GRQ 7.56972
336 5MLR NAP 7.56972
337 1OC2 NAD 7.56972
338 1OC2 TDX 7.56972
339 1CF2 NAP 7.56972
340 1UXG FUM 7.56972
341 1UXG NAD 7.56972
342 5XVH NAP 7.56972
343 5XNC MTA 7.56972
344 2Y6Q FAD 7.56972
345 1EBF NAD 7.56972
346 2Z9V PXM 7.56972
347 1H8S AIC 7.56972
348 4M73 M72 7.56972
349 4M73 SAH 7.56972
350 1U8X NAD 7.56972
351 1DRV A3D 7.69231
352 3WMX NAD 7.96813
353 4R5M NAP 7.96813
354 5A0U CHT 7.96813
355 4D3F NAP 7.96813
356 2DUR MAN MAN 7.96813
357 1T26 NAI 7.96813
358 1T26 GBD 7.96813
359 4R5M 4NO 7.96813
360 1U1I NAD 7.96813
361 1UWK NAD 7.96813
362 1UWK URO 7.96813
363 5GM1 SAH 7.96813
364 3IVV ASP GLU VAL THR SER THR THR SER SER SER 8.27586
365 4MA6 28E 8.28025
366 5BJX NAD 8.36653
367 5BJX UDP 8.36653
368 2OOR NAD 8.36653
369 2F1K NAP 8.36653
370 2A92 NAI 8.36653
371 1KYZ SAH 8.36653
372 1C3X 8IG 8.36653
373 1L7E NAI 8.36653
374 4TWL ASC 8.53659
375 3QV1 NAD 8.53659
376 1C3V NDP 8.57143
377 4GLL NAD 8.76494
378 1LTH NAD 8.76494
379 5LKC FUC GLA A2G 8.76494
380 1UDB UFG 8.76494
381 1UDB NAD 8.76494
382 1EZ4 NAD 8.76494
383 1KYQ NAD 8.76494
384 5F8F SFG 8.76494
385 4KIB SAH 8.76494
386 1G55 SAH 8.76494
387 5KVS NAP 8.76494
388 1VM6 NAD 8.77193
389 5XWV NDP 8.87097
390 5XWV 8H6 8.87097
391 6FLZ MMA 9.02778
392 6EL3 NAP 9.16335
393 1GV0 NAD 9.16335
394 1MUU NAD 9.16335
395 1J5P NAD 9.16335
396 1MV8 NAD 9.16335
397 3GU3 SAH 9.16335
398 2JK0 ASP 9.16335
399 3QMN A3P 9.30233
400 5N2I NAP 9.48276
401 5F5N NAD 9.56175
402 2HJR APR 9.56175
403 2NU8 COA 9.56175
404 3TKY SAH 9.56175
405 1HYH NAD 9.56175
406 4XQC 13D 9.56175
407 1LOB MMA 9.61539
408 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 9.61539
409 4II2 ATP 9.63855
410 3GGO NAI 9.96016
411 2WA2 SAM 9.96016
412 2G5C NAD 9.96016
413 2C29 NAP 10.3586
414 2C29 DQH 10.3586
415 2HK9 ATR 10.3586
416 2HK9 NAP 10.3586
417 2NUO BGC 10.6557
418 2GUC MAN 10.6557
419 2HYR BGC GLC 10.6557
420 3X0D SAH 10.757
421 5BW4 SAM 11.1554
422 2EXX NAP 11.1554
423 2HIM ASN 11.1554
424 2HIM ASP 11.1554
425 4K55 H6P 11.2903
426 3KIF GDL 11.3208
427 2GN4 NDP 11.5538
428 2GN4 UD1 11.5538
429 2I3G NAP 11.5538
430 1RV1 IMZ 11.7647
431 2FR1 NDP 11.9342
432 4G5H NAP 11.9522
433 4G5H UD7 11.9522
434 2PK3 A2R 11.9522
435 1SOW NAD 11.9522
436 1I2B UPG 11.9522
437 1I2B NAD 11.9522
438 1I2B USQ 11.9522
439 2YP9 SIA CMO 11.9522
440 1UP7 NAD 11.9522
441 4HXY NDP 12.3288
442 1EK6 NAI 12.3506
443 1RKX NAD 12.3506
444 1EK6 UPG 12.3506
445 1RPN NDP 12.3506
446 5L4L NAP 12.3506
447 1HYE NAP 12.3506
448 5L4L 7OX 12.3506
449 2DFV NAD 12.3506
450 3SSO SAH 12.3506
451 4TQG NDP 12.749
452 4EUE NAI 12.749
453 3ICS ADP 12.749
454 3ICT ADP 12.749
455 1FP1 SAH 13.1474
456 2Q1S NAI 13.1474
457 5KOK SAH 13.5458
458 1CM8 ANP 13.5458
459 1J49 NAD 13.5458
460 1LUA NAP 13.5458
461 4ZRN NAD 13.9442
462 4ZRN UPG 13.9442
463 3LQV ADE 15.3846
464 1WP4 NDP 15.5378
465 6F5W KG1 15.5378
466 4CNO 9PY 16.3347
467 1E3I CXF 16.3347
468 4PIV NDP 16.7331
469 5L53 NAP 17.1315
470 1N7G GDR 17.1315
471 1N7G NDP 17.1315
472 1F8G NAD 17.1315
473 1NE7 16G 17.5299
474 3O26 NDP 17.9283
475 1Z45 NAD 18.3267
476 5TVI O8N 18.4783
477 5L4S 6KX 18.7251
478 5L4S NAP 18.7251
479 4OOE FOM 18.7251
480 4OOE NDP 18.7251
481 4Q9N NAI 19.5219
482 1ZGA SAH 19.9203
483 1WDK NAD 20.3187
484 2DKN NAI 20.7171
485 5L95 AMP 21.25
486 1FK8 NAD 21.5139
487 4OHU 2TK 21.5139
488 4OHU NAD