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Receptor
PDB id Resolution Class Description Source Keywords
3RKR 2.42 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF A METAGENOMIC SHORT-CHAIN OXIDOREDUCTAS COMPLEX WITH NADP UNCULTURED BACTERIUM BIO5 ROSSMANN FOLD OXIDOREDUCTASE
Ref.: A NOVEL METAGENOMIC SHORT-CHAIN DEHYDROGENASE/REDUC ATTENUATES PSEUDOMONAS AERUGINOSA BIOFILM FORMATION VIRULENCE ON CAENORHABDITIS ELEGANS. PLOS ONE V. 6 26278 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:240;
B:240;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
SO4 A:241;
A:242;
A:243;
B:241;
B:242;
B:243;
C:240;
C:241;
C:242;
D:240;
D:241;
D:242;
D:243;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RKR 2.42 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF A METAGENOMIC SHORT-CHAIN OXIDOREDUCTAS COMPLEX WITH NADP UNCULTURED BACTERIUM BIO5 ROSSMANN FOLD OXIDOREDUCTASE
Ref.: A NOVEL METAGENOMIC SHORT-CHAIN DEHYDROGENASE/REDUC ATTENUATES PSEUDOMONAS AERUGINOSA BIOFILM FORMATION VIRULENCE ON CAENORHABDITIS ELEGANS. PLOS ONE V. 6 26278 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3RKR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3RKR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2JAP - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3RKR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3P19 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 3RKR; Ligand: NAP; Similar sites found with APoc: 977
This union binding pocket(no: 1) in the query (biounit: 3rkr.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3HVJ 705 None
2 2WR9 MAN MAN None
3 1UQX MMA None
4 3CTY FAD 0.626959
5 3F81 STT 1.0929
6 3O7W SAM 1.14504
7 1QAN SAH 1.22951
8 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 1.30435
9 4XUC SAM 1.37615
10 4XUC 43G 1.37615
11 4IF4 BEF 1.44231
12 3ABI NAD 1.52672
13 6DNT NAD 1.52672
14 4JSR 1NQ 1.52672
15 3JWH SAH 1.52672
16 2CDC NAP 1.52672
17 2CDC XYS 1.52672
18 2CDC XYP 1.52672
19 5K0A FAD 1.52672
20 5OCM NAP 1.52672
21 2WOX NDP 1.52672
22 3FG2 FAD 1.52672
23 3TLJ SAH 1.60858
24 2CUL FAD 1.72414
25 3OFK SAH 1.85185
26 3K9U ACO 1.88679
27 1I8T FAD 1.9084
28 3A4T SFG 1.9084
29 4PIO AVI 1.9084
30 4PIO SAH 1.9084
31 1PS9 FAD 1.9084
32 5DM1 5D7 1.9084
33 5DM1 SAH 1.9084
34 4MO2 FDA 1.9084
35 2QA1 FAD 1.9084
36 4NEC SAH 1.9084
37 4MO2 FAD 1.9084
38 2BMB PMM 1.9084
39 1YKJ FAD 1.9084
40 1YKJ PHB 1.9084
41 3A25 SAM 1.9084
42 3LL5 ADP 1.9084
43 3LL5 IPE 1.9084
44 1PVN MZP 1.9084
45 1RM0 NAI 1.9084
46 3LL5 IP8 1.9084
47 3PT9 SAH 1.9084
48 3A27 SAM 1.9084
49 3G89 SAM 2.00803
50 3C3Y SAH 2.1097
51 1XCL SAH 2.12766
52 1VM6 NAD 2.19298
53 1U7Z PMT 2.21239
54 5MSO NAP 2.29008
55 6BWL NAD 2.29008
56 1EK6 UPG 2.29008
57 1EK6 NAI 2.29008
58 3GF4 FAD 2.29008
59 1I2B USQ 2.29008
60 1I2B UPG 2.29008
61 1I2B NAD 2.29008
62 3GF4 UPG 2.29008
63 5XNC MTA 2.29008
64 3QJ4 FAD 2.29008
65 1YS4 NAP 2.29008
66 6ER9 NAP 2.29008
67 6ER9 FAD 2.29008
68 1N2X SAM 2.29008
69 2O07 SPD 2.29008
70 2FK8 SAM 2.29008
71 3BAZ NAP 2.29008
72 4AP3 FAD 2.29008
73 4AP3 NAP 2.29008
74 3ZNN 4WL 2.29008
75 3ZNN FAD 2.29008
76 2Q1S NAI 2.29008
77 4NTC FAD 2.29008
78 5BRT FAD 2.29008
79 5BRT CH9 2.29008
80 4E70 N7I 2.29008
81 4MIG G3F 2.29008
82 1Q1R FAD 2.29008
83 3COW 52H 2.29008
84 6C8R EQV 2.29008
85 2O07 MTA 2.29008
86 1OMO NAD 2.29008
87 2F1K NAP 2.29008
88 5JE8 NAD 2.29008
89 2Q3O FMN 2.29008
90 5X68 FAD 2.29008
91 1IIM TTP 2.29008
92 1U8X NAD 2.29008
93 3LU1 NAD 2.29008
94 2ZWA SAH 2.30216
95 5BSZ SAH 2.4
96 2JB2 PHE 2.45399
97 2JB2 FAD 2.45399
98 5E1M PRO PRO LYS ARG ILE ALA 2.48963
99 5E1M SAH 2.48963
100 2HNK SAH 2.51046
101 1P1C SAH 2.51256
102 3NT6 FAD 2.61324
103 3NTA FAD 2.61324
104 1D4D FAD 2.62238
105 1O6Z NAD 2.64026
106 3NTD FAD 2.65487
107 3WMX NAD 2.67176
108 4PNE SAH 2.67176
109 5ZI2 NAD 2.67176
110 5THY SAH 2.67176
111 5ZI2 ADP 2.67176
112 3HDY FAD 2.67176
113 3HDY FDA 2.67176
114 3HDY GDU 2.67176
115 3TKA SAM 2.67176
116 5W7M SAH 2.67176
117 5W7R SAH 2.67176
118 1PN0 IPH 2.67176
119 1TPY SAH 2.67176
120 1PN0 FAD 2.67176
121 1YQZ FAD 2.67176
122 1WG8 SAM 2.67176
123 5WGR FAD 2.67176
124 5W7R 9Z7 2.67176
125 4XQC 13D 2.67176
126 4XQC NAD 2.67176
127 1LVL NAD 2.67176
128 1Z3C SA8 2.67176
129 5UAV NDP 2.67176
130 5UAV TFB 2.67176
131 1XA4 COA 2.67176
132 4IV9 FAD 2.67176
133 2PT9 2MH 2.67176
134 2I7C AAT 2.67176
135 1KNR FAD 2.67176
136 4BLW AMP 2.67176
137 1SC6 NAD 2.67176
138 2PT9 S4M 2.67176
139 5AOV NAP 2.67176
140 1X14 NAD 2.67176
141 1X7D NAD 2.67176
142 1X7D ORN 2.67176
143 5L13 6ZE 2.67176
144 5E72 SAM 2.67176
145 4I5I NAD 2.67176
146 4BLW SAH 2.67176
147 3UBM COA 2.67176
148 5THZ SAH 2.67176
149 5JGL SAM 2.67176
150 2B4R AES 2.67176
151 2B4R NAD 2.67176
152 4PXL NAD 2.67176
153 5JBX COA 2.68199
154 4R6W PC 2.71318
155 4R6W SAH 2.71318
156 4OBW SAM 2.72374
157 5FTW SAH 2.73438
158 1Q9I FAD 2.8021
159 1Q9I TEO 2.8021
160 5GWX SAR 2.8169
161 5GWX SAM 2.8169
162 3GU3 SAH 2.8169
163 5JE0 SAH 2.83401
164 5JE0 AZ8 2.83401
165 1IM8 SAI 2.86885
166 1WY7 SAH 2.89855
167 5YWX 93C 3.0303
168 1ORR NAD 3.05344
169 1E5Q NDP 3.05344
170 5MPT SAH 3.05344
171 6GKV SAH 3.05344
172 1UWK URO 3.05344
173 1UWK NAD 3.05344
174 4GLL NAD 3.05344
175 3VYW SAM 3.05344
176 1C0I BE2 3.05344
177 1C0I FAD 3.05344
178 3EYA FAD 3.05344
179 5MW4 5JU 3.05344
180 4J36 1HR 3.05344
181 4J36 FAD 3.05344
182 3P9C SAH 3.05344
183 5U19 827 3.05344
184 5U19 SAH 3.05344
185 4MOP 2H5 3.05344
186 3QOX SAH 3.05344
187 3GD4 NAD 3.05344
188 4ONQ SFG 3.05344
189 3GD4 FAD 3.05344
190 2ZIF SAM 3.05344
191 2VVM FAD 3.05344
192 1PJS NAD 3.05344
193 1RP0 AHZ 3.05344
194 2BSA NAP 3.05344
195 1JT2 FER 3.05344
196 5BUK FAD 3.05344
197 3OA2 NAD 3.05344
198 1CER NAD 3.05344
199 4DPL NAP 3.05344
200 5DX8 SFG 3.05344
201 3H9E NAD 3.05344
202 2RGJ FAD 3.05344
203 2D3N GLC GLC GLC 3.05344
204 5DX1 SFG 3.05344
205 5DWQ SFG 3.05344
206 5DXA SFG 3.05344
207 5WP5 SAH 3.05499
208 3BGD PM6 3.07692
209 3BGD SAH 3.07692
210 3MB5 SAM 3.13725
211 2CJF RP4 3.18471
212 4GKV NAD 3.27381
213 4YMH SAH 3.33333
214 4FZV SAM 3.34728
215 3BXO SAM 3.34728
216 5YEC ATP 3.36134
217 5OOH NAP 3.39806
218 5OOH 9ZZ 3.39806
219 3LCC SAH 3.40426
220 4RPL FAD 3.43511
221 4RPL 3UC 3.43511
222 5F8F SFG 3.43511
223 4M73 M72 3.43511
224 2GZ3 NAP 3.43511
225 5J60 FAD 3.43511
226 3L9W AMP 3.43511
227 3EVF GTA 3.43511
228 3EVF SAH 3.43511
229 4N49 SAM 3.43511
230 4M73 SAH 3.43511
231 1RSG FAD 3.43511
232 5GSN FAD 3.43511
233 5GSN NAP 3.43511
234 4KIB SAH 3.43511
235 5GSN MMZ 3.43511
236 4USR FAD 3.43511
237 3GXO SAH 3.43511
238 4LWP SAH 3.43511
239 2Z3Y F2N 3.43511
240 1YY5 FAD 3.43511
241 1F8G NAD 3.43511
242 2NPX FAD 3.43511
243 2NPX NAD 3.43511
244 5JCA FAD 3.43511
245 5JCA NDP 3.43511
246 6HOY TSN 3.43511
247 2YVF FAD 3.43511
248 2YVF NAD 3.43511
249 2VVL FAD 3.43511
250 3MAG SAH 3.43511
251 6HOY AR6 3.43511
252 3MCT SAH 3.43511
253 1XVV CCQ 3.43511
254 3GWZ SAH 3.43511
255 1NV8 MEQ 3.43511
256 1NV8 SAM 3.43511
257 5M67 ADE 3.43511
258 1QMG APX 3.43511
259 5M67 NAD 3.43511
260 1QMG DMV 3.43511
261 2IHU TP9 3.43511
262 3L9W GSH 3.43511
263 5M67 3D1 3.43511
264 4Y30 SAH 3.43511
265 4Y30 49L 3.43511
266 1DSS NAD 3.43511
267 5XVH NAP 3.43511
268 1NW5 SAM 3.44828
269 2BZG SAH 3.44828
270 4KRI SAH 3.4642
271 1VE3 SAM 3.52423
272 5ZW3 SAH 3.55556
273 2P41 SAH 3.60656
274 1L3I SAH 3.64583
275 5NQR 958 3.65297
276 1H0H MGD 3.73832
277 5MLR GRQ 3.81679
278 5MLR NAP 3.81679
279 1RJD SAM 3.81679
280 3I6I NDP 3.81679
281 6D6Y SAH 3.81679
282 3GDH SAH 3.81679
283 3G2O SAM 3.81679
284 3SSO SAH 3.81679
285 4DCM SAM 3.81679
286 2XVF FAD 3.81679
287 5J5Z FAD 3.81679
288 1L1E SAH 3.81679
289 5KKA 6V0 3.81679
290 1E1M NAP 3.81679
291 1E1M FAD 3.81679
292 2JJQ SAH 3.81679
293 3T7S SAM 3.81679
294 5TWB FAD 3.81679
295 3IHG FAD 3.81679
296 5BVA FAD 3.81679
297 1NAA 6FA 3.81679
298 1NAA ABL 3.81679
299 5A1T NAI 3.81679
300 2ZXI FAD 3.81679
301 5W7K SAH 3.81679
302 4AZW SAM 3.81679
303 1LDN NAD 3.81679
304 4D79 ATP 3.81679
305 2F5Z FAD 3.81679
306 5A1T OXM 3.81679
307 3LZW NAP 3.81679
308 4RDH AMP 3.81679
309 5T63 ALA ALA ALA ALA 3.81679
310 5JWC FAD 3.81679
311 3C6K SPD 3.81679
312 3RNM FAD 3.81679
313 4RDI ATP 3.81679
314 5XVS UDP 3.81679
315 3VSE SAH 3.81679
316 4X7R NTO 3.81679
317 4X7R 3YW 3.81679
318 4X7R UDP 3.81679
319 3C6K MTA 3.81679
320 3ZG6 APR 3.81679
321 5FJN BE2 3.81679
322 5FJN FAD 3.81679
323 4DMG SAM 3.81679
324 1JBW TMF 3.81679
325 3ITJ CIT 3.81679
326 1JG3 ADN 3.82979
327 2WBP ZZU 3.91061
328 2WBP SIN 3.91061
329 3FRH SAH 3.95257
330 5N5D SAM 3.9823
331 2XVM SAH 4.0201
332 3FPF MTA 4.02685
333 3FPF TNA 4.02685
334 2JHP SAH 4.03727
335 2V6G NAP 4.19847
336 1H9A NAP 4.19847
337 1R6D NAD 4.19847
338 1R6D DAU 4.19847
339 3LCV SAM 4.19847
340 3UCL NAP 4.19847
341 3UCL CYH 4.19847
342 3UCL FAD 4.19847
343 4OOE NDP 4.19847
344 4OOE FOM 4.19847
345 5U8U FAD 4.19847
346 1TZD ADP 4.19847
347 3PFG TLO 4.19847
348 3PFG SAM 4.19847
349 1YBH FAD 4.19847
350 2FZW NAD 4.19847
351 2DPM SAM 4.19847
352 1ELI PYC 4.19847
353 4C3Y ANB 4.19847
354 4C3Y FAD 4.19847
355 2HIM ASN 4.19847
356 1GPE FAD 4.19847
357 4C4A SAH 4.19847
358 5JJR SAH 4.19847
359 4Z4P SAH 4.21687
360 2PWY SAH 4.26357
361 5L4L 7OX 4.27632
362 5L4L NAP 4.27632
363 3ELW SAM 4.33333
364 3ELW GP3 4.33333
365 3O9Z NAD 4.48718
366 3O9Z AKG 4.48718
367 1BXK NAD 4.58015
368 2OBF F83 4.58015
369 5JAQ NAI 4.58015
370 5ZEC NAP 4.58015
371 2OBF SAH 4.58015
372 1KEW NAD 4.58015
373 3EVG SAH 4.58015
374 4PVD NDP 4.58015
375 1KYZ FER 4.58015
376 1KEW TYD 4.58015
377 3A06 NDP 4.58015
378 3GRU AMP 4.58015
379 4EMI NAD 4.58015
380 4EMI FAD 4.58015
381 2CVQ NDP 4.58015
382 3A06 FOM 4.58015
383 1O97 AMP 4.58015
384 1O97 FAD 4.58015
385 3UOY NAP 4.58015
386 3UOY FAD 4.58015
387 1EZ4 NAD 4.58015
388 6GAS FAD 4.58015
389 1DL5 SAH 4.58015
390 2Q0L FAD 4.58015
391 1PZG A3D 4.58015
392 1KYZ SAH 4.58015
393 1D1T NAD 4.58015
394 3V1Y NAD 4.58015
395 4Z0H NAD 4.58015
396 1J0X NAD 4.58015
397 2YVJ FAD 4.58716
398 2YVJ NAI 4.58716
399 1Q0S SAH 4.6332
400 4JK3 NAD 4.6332
401 4J4H NAI 4.6332
402 4J4H 1J1 4.6332
403 2PXX SAH 4.65116
404 2BEK ATP 4.66926
405 5IN4 6CK 4.67033
406 5IN4 GDP 4.67033
407 5IN4 NAP 4.67033
408 5M58 SAH 4.78261
409 3H8V ATP 4.79452
410 5WKC FAD 4.87445
411 1N7G NDP 4.96183
412 1N7G GDR 4.96183
413 1SB8 NAD 4.96183
414 1SB8 UD2 4.96183
415 5CUQ NSC 4.96183
416 1Q0H NDP 4.96183
417 1Q0H FOM 4.96183
418 5BW4 SAM 4.96183
419 4USQ FAD 4.96183
420 2Q7V FAD 4.96183
421 5NMX FAD 4.96183
422 5NMX NAP 4.96183
423 6B92 SAH 4.96183
424 5NUF NAD 4.96183
425 4KP7 NAP 4.96183
426 5NUE NAD 4.96183
427 1JQ3 AAT 4.96183
428 5LOG SAH 4.96183
429 3LST SAH 4.96183
430 2YK7 CSF 4.96183
431 1T3D CYS 4.96183
432 1GR0 NAD 4.96183
433 5O4J 9KH 4.96183
434 4KP7 1UQ 4.96183
435 5O4J SAH 4.96183
436 5O4J PJL 4.96183
437 3RHJ NAP 4.96183
438 5FWA J7C 4.96183
439 6AIN FAD 5.02392
440 1ZGA SAH 5.04202
441 3WV8 ATP 5.04587
442 5MGZ SAH 5.08475
443 4YSX FAD 5.12821
444 1YC5 NCA 5.28455
445 4U7W NDP 5.34351
446 1SQF SAM 5.34351
447 5WP4 SAH 5.34351
448 1G55 SAH 5.34351
449 1FP2 SAH 5.34351
450 2A14 SAH 5.34351
451 4X9M FAD 5.34351
452 3ICT FAD 5.34351
453 3VC1 GST 5.34351
454 3VC1 SAH 5.34351
455 3H5N ATP 5.34351
456 1I9G SAM 5.34351
457 5T9F NAP 5.34351
458 5T9F TYR 5.34351
459 5MDH NAD 5.34351
460 5Y77 FAD 5.34351
461 6GAR FAD 5.34351
462 3ICR FAD 5.34351
463 3FPZ AHZ 5.34351
464 1KQF MGD 5.34351
465 4MDH NAD 5.34351
466 3ICS FAD 5.34351
467 1DIG L37 5.34351
468 1DIG NAP 5.34351
469 5MZI FYK 5.34351
470 5MZI FAD 5.34351
471 1FP2 HMO 5.34351
472 3FSY SCA 5.34351
473 2GCE SFC 5.34351
474 2C7G FAD 5.34351
475 2GCE RFC 5.34351
476 3X0D SAH 5.34351
477 1E6E FAD 5.46875
478 4HI0 GDP 5.52764
479 1EJ0 SAM 5.55556
480 2ZFU SAH 5.5814
481 5EEH P9P 5.58511
482 5EEH SAH 5.58511
483 3Q87 SAM 5.6
484 4TQG NDP 5.72519
485 4EUE NAI 5.72519
486 5YJF SAH 5.72519
487 5YJF 8WO 5.72519
488 1OC2 NAD 5.72519
489 1OC2 TDX 5.72519
490 5VN0 FAD 5.72519
491 5VN0 NAI 5.72519
492 1Y8Q ATP 5.72519
493 5F5N NAD 5.72519
494 4D5G FAD 5.72519
495 4D5G TPP 5.72519
496 1I1N SAH 5.72519
497 5NA1 FAD 5.72519
498 5KOK S9T 5.72519
499 3S1S SAH 5.72519
500 5KOK R9T 5.72519
501 5KOK SAH 5.72519
502 4REP FAD 5.72519
503 3S5W FAD 5.72519
504 2VJM COA 5.72519
505 1VGR COA 5.72519
506 5XLX SAH 5.72519
507 2PX8 SAH 5.72519
508 3WLE NAD 5.72519
509 2IV2 2MD 5.72519
510 6C4T NA7 5.72519
511 4D7E FAD 5.72519
512 5DOZ NDP 5.72519
513 5U5G NAP 5.72519
514 5Y8L HUI 5.76271
515 5Y8L NAD 5.76271
516 3P2E SAH 5.77778
517 5UFN SAH 5.88235
518 1XTP SAI 5.90551
519 5ICE SAH 5.96591
520 5ICE 2H4 5.96591
521 5K4W THR 6.10687
522 5K4W NAI 6.10687
523 2JL1 NAP 6.10687
524 2I3G NAP 6.10687
525 3FUU ADN 6.10687
526 1A5Z NAD 6.10687
527 6GFK SAH 6.10687
528 1DJN ADP 6.10687
529 4EIP FAD 6.10687
530 3E1T FAD 6.10687
531 1O94 ADP 6.10687
532 6F5W KG1 6.10687
533 5YBL AKG 6.10687
534 4JNA FAD 6.10687
535 5XFV FMN 6.10687
536 1YP4 ADQ 6.10687
537 1UXG NAD 6.14887
538 1UXG FUM 6.14887
539 5NNS AKR 6.22222
540 2HMT NAI 6.25
541 1FP1 SAH 6.45161
542 3A4V PYR 6.48855
543 3A4V NAD 6.48855
544 1Z45 NAD 6.48855
545 5ERG SAM 6.48855
546 4DSG UDP 6.48855
547 4DSG FAD 6.48855
548 5HJM MTA 6.48855
549 3AYI HCI 6.48855
550 3AYI FAD 6.48855
551 1X87 NAD 6.48855
552 2WPF FAD 6.48855
553 2WPF WPF 6.48855
554 2Y6Q FAD 6.48855
555 2Y6Q I7T 6.48855
556 2DBZ NAP 6.48855
557 5EIN NAP 6.48855
558 2NXE SAM 6.48855
559 3LKZ SFG 6.54206
560 4IWN GEK 6.55022
561 6F5Z SAH 6.55738
562 2C5A GDC 6.59631
563 2C5A NAD 6.59631
564 4G5H NAP 6.61157
565 4G5H UD7 6.61157
566 4QTU SAM 6.66667
567 6DUB SAH 6.75676
568 5YJI SAH 6.87023
569 5YJI 8WO 6.87023
570 6ECW SAH 6.87023
571 6ECU SAH 6.87023
572 2RAB NAD 6.87023
573 6ECT SAM 6.87023
574 5KMS FAD 6.87023
575 4B63 ORN 6.87023
576 4B63 FAD 6.87023
577 4B63 NAP 6.87023
578 5KMS NAD 6.87023
579 5UAO FAD 6.87023
580 4Z24 FAD 6.87023
581 1V59 NAD 6.87023
582 1FEC FAD 6.87023
583 6A0S NDP 6.87023
584 6A0S HSE 6.87023
585 1V59 FAD 6.87023
586 5Z20 NAI 6.87023
587 5G5G MCN 6.87023
588 5OCS FMN 6.87023
589 1CT9 GLN 6.87023
590 3MQ2 SAH 6.88073
591 3ZLR X0B 6.96203
592 4PIV NDP 6.9697
593 1VL0 NAI 7.19178
594 5ZZ6 ADP 7.21154
595 5ZZ6 NAD 7.21154
596 5DF1 58X 7.25191
597 5DF1 NAP 7.25191
598 2XYQ SAH 7.25191
599 3VPH OXM 7.25191
600 2CDU FAD 7.25191
601 2GVC FAD 7.25191
602 2GV8 FAD 7.25191
603 5K7U SAM 7.25191
604 5IL1 SAM 7.25191
605 1VQW FAD 7.25191
606 3VPH NAD 7.25191
607 6CEP NAD 7.25191
608 6CEP OXM 7.25191
609 1ZK7 FAD 7.25191
610 1RLZ NAD 7.25191
611 2WET FAD 7.25191
612 2V58 LZJ 7.25191
613 2VDV SAM 7.31707
614 3EWP APR 7.34463
615 2PK3 A2R 7.47664
616 1GAR U89 7.54717
617 5TVI O8N 7.6087
618 1E7S NAP 7.63359
619 4O1M NAD 7.63359
620 5BJX NAD 7.63359
621 5BJX UDP 7.63359
622 1D7O NAD 7.63359
623 1D7O TCL 7.63359
624 4ZRN NAD 7.63359
625 1G60 SAM 7.63359
626 4ZRN UPG 7.63359
627 5JCM FAD 7.63359
628 5JCM NAD 7.63359
629 5JCM ISD 7.63359
630 1V6A TRE 7.63359
631 4TXI FAD 7.63359
632 4NTD FAD 7.63359
633 1SOW NAD 7.63359
634 4YRY NAD 7.63359
635 6BII NAP 7.63359
636 3KLJ FAD 7.63359
637 1GUZ NAD 7.63359
638 2BRY FAD 7.63359
639 5KOX FAD 7.63359
640 4YRY FAD 7.63359
641 1ICP FMN 7.63359
642 1GAD NAD 7.63359
643 9LDT NAD 7.63359
644 9LDB NAD 7.63359
645 2CBZ ATP 7.63359
646 2BKA NDP 7.85124
647 4POO SAM 8
648 2Q1W NAD 8.01527
649 4R1S NAP 8.01527
650 2C29 NAP 8.01527
651 2C29 DQH 8.01527
652 3NYC IAR 8.01527
653 3NYC FAD 8.01527
654 4D04 NAP 8.01527
655 4D04 FAD 8.01527
656 6C5B SAH 8.01527
657 5UR0 NAD 8.01527
658 5N0J FAD 8.01527
659 2IVD FAD 8.01527
660 2VHW NAI 8.01527
661 1MUU NAD 8.01527
662 5OJL TXP 8.05369
663 4G2R H1L 8.24524
664 6EL3 NAP 8.39695
665 4X60 3XV 8.39695
666 4X60 SFG 8.39695
667 4GQB 0XU 8.39695
668 3RUV ANP 8.39695
669 1LTH NAD 8.39695
670 6F7L FAD 8.39695
671 5FA5 MTA 8.39695
672 3NJ4 NAD 8.39695
673 3CIF NAD 8.39695
674 4EMJ FAD 8.41121
675 4M37 SAH 8.74636
676 4M38 SAH 8.74636
677 1V35 NAI 8.77863
678 4LHD GLY 8.77863
679 1XHC FAD 8.77863
680 5G3U ITW 8.77863
681 5G3U FDA 8.77863
682 1YB5 NAP 8.77863
683 5ZBC FAD 8.77863
684 5I39 FAD 8.77863
685 1V8B NAD 8.77863
686 5Y1G NAD 8.84146
687 5Y1G AKB 8.84146
688 2DT5 NAD 9.00474
689 5ULP KB1 9.16031
690 1Y1P NMN AMP PO4 9.16031
691 1KPG SAH 9.16031
692 6FDF SAH 9.16031
693 4KRG SAH 9.16031
694 5ZYN FAD 9.16031
695 3OU2 SAH 9.17431
696 5HW4 SAM 9.27419
697 3RJ5 NAD 9.44882
698 4Q9N NAI 9.54198
699 1GY8 NAD 9.54198
700 1ZQ9 SAM 9.54198
701 4A6D SAM 9.54198
702 3AXB FAD 9.54198
703 3AXB PRO 9.54198
704 2G5C NAD 9.54198
705 4KGD FAD 9.54198
706 4KGD TDP 9.54198
707 4U8P FDA 9.54198
708 4U8P UDP 9.54198
709 1QZZ SAM 9.54198
710 1SAY PYR 9.54198
711 3T31 FAD 9.54198
712 2ZJ1 ARJ 9.54198
713 2ZJ1 NAD 9.54198
714 3GGO NAI 9.54198
715 1XDS SAM 9.54198
716 2VT3 ATP 9.76744
717 1HYE NAP 9.92366
718 2WA2 SAM 9.92366
719 3GCZ SAM 9.92366
720 2OOR NAD 9.92366
721 1NM5 NAD 9.92366
722 3TKY SAH 9.92366
723 1GV0 NAD 9.92366
724 1L7E NAI 9.92366
725 5KVA SAM 9.92366
726 5FA8 SAM 9.93789
727 1NNU NAD 10.0437
728 1NNU TCT 10.0437
729 4HXY NDP 10.0457
730 1QO8 FAD 10.3053
731 2GCG NDP 10.3053
732 4KFU ACP 10.3774
733 3KO8 NAD 10.687
734 1RKX NAD 10.687
735 6BQ6 TER 10.687
736 4JDR FAD 10.687
737 4XYB NDP 10.687
738 4PLT NAI 10.687
739 4PLT OXM 10.687
740 2UYQ SAM 10.687
741 2A92 NAI 10.687
742 2DKH 3HB 10.687
743 2DKH FAD 10.687
744 1LSS NAD 10.7143
745 1RPN NDP 10.7463
746 4ZCC FAD 11.0119
747 4ZCC NAI 11.0119
748 4II2 ATP 11.0429
749 1S7G NAD 11.0672
750 5E8J SAH 11.0687
751 5E9W SAH 11.0687
752 5FUB SAH 11.0687
753 3LXD FAD 11.0687
754 2YX1 SFG 11.0687
755 1F3L SAH 11.0687
756 1WDK NAD 11.0687
757 1BC5 SAH 11.1524
758 6BR7 BEF 11.2782
759 2BMZ XLM 11.3475
760 5GM1 SAH 11.4504
761 1KPH SAH 11.4504
762 1EFV AMP 11.7647
763 1EFV FAD 11.7647
764 2EXX NAP 11.8321
765 1RJW ETF 11.8321
766 1R37 NAD 11.8321
767 2CYE COA 12.0301
768 3CGB FAD 12.2137
769 3CGD NAD 12.2137
770 3CGD COA 12.2137
771 2PZM NAD 12.4242
772 2PZM UDP 12.4242
773 5L95 AMP 12.5
774 5AHO TLA 12.5954
775 3AD8 NAD 12.8079
776 4ZVV NAD 12.9771
777 4ZVV GN0 12.9771
778 3WQQ NDP 12.9771
779 3WQQ IB3 12.9771
780 1NVM NAD 13.141
781 2HJR APR 13.3588
782 3VPB ADP 13.8298
783 1R18 SAH 14.1221
784 3WGT QSC 14.1221
785 3WGT FAD 14.1221
786 2VZZ SCA 14.1221
787 1HDR NAD 14.3443
788 4YT4 FE9 14.4
789 2E5V FAD 14.4068
790 1WVG APR 14.5038
791 2Q46 NAP 14.6245
792 2GAG NAD 16.1616
793 2GAG FOA 16.1616
794 1UDB UFG 16.4122
795 1UDB NAD 16.4122
796 2YY7 NAD 16.7939
797 3DMH SAM 17.5573
798 3DMH GMP 17.5573
799 5Z75 NAD 18.3206
800 5L53 NAP 20.229
801 5L4S 6KX 20.6107
802 5L4S NAP 20.6107
803 3ORF NAD 21.1155
804 1NPD NAD 23.2824
805 1VI2 NAD 23.2824
806 1WMA NDP 26.3359
807 1WMA AB3 26.3359
808 2GN4 NDP 27.4809
809 2GN4 UD1 27.4809
810 2PD4 NAD 29.3893
811 2PD4 DCN 29.3893
812 4FC7 NAP 29.771
813 4FC7 COA 29.771
814 3RFV 15L 30.916
815 3RFV NAI 30.916
816 3OID NDP 32.1705
817 5GT9 NAP 32.4427
818 5I7S E9P 32.8244
819 5I7S NAD 32.8244
820 2WYV NAD 32.9502
821 4YAC NAI 33.2061
822 1H5Q NAP 33.9695
823 4OHU 2TK 33.9695
824 4OHU NAD 33.9695
825 1E3W NAD 34.0996
826 1E6W NAD 34.3511
827 1OAA OAA 34.3629
828 4QED NAP 34.6774
829 3HB5 NAP 34.7328
830 1JA9 NDP 34.7328
831 3WXB NDP 35.1145
832 4Y9D NAI 35.1145
833 4O0L NDP 35.1145
834 3H4V DVP 35.4962
835 3H4V NAP 35.4962
836 4ZA2 NAD 35.5731
837 2CFC NAD 35.6
838 1XKQ NDP 35.8779
839 3U4C NDP 35.8779
840 1ZEM NAD 36.2595
841 1W6U NAP 36.2595
842 1SNY NAP 36.2595
843 1BDB NAD 36.6412
844 1QG6 NAD 36.6412
845 1QG6 TCL 36.6412
846 5O42 NAD 36.8613
847 5O42 9JW 36.8613
848 5O42 BGC 36.8613
849 3OJF NDP 36.965
850 3OJF IMJ 36.965
851 4K26 NDP 37.0229
852 4K26 SFF 37.0229
853 1G0N NDP 37.0229
854 1G0N PHH 37.0229
855 1Z6Z NAP 37.0229
856 1W73 NAP 37.4046
857 1W8D NAP 37.4046
858 5B4T NAD 37.6923
859 5B4T 3HR 37.6923
860 1PR9 NAP 37.7049
861 3D3W NAP 37.7049
862 3VZS NAP 37.7432
863 3VZS CAA 37.7432
864 3CH6 311 37.7863
865 3CH6 NAP 37.7863
866 1IY8 NAD 37.7863
867 4D42 NAP 37.7863
868 4D42 W0I 37.7863
869 1A27 NAP 38.1679
870 1GZ6 NAI 38.1679
871 3O03 NAP 38.1679
872 1U7T TDT 38.3142
873 1U7T NAD 38.3142
874 3GEG NAD 38.4615
875 1XSE NDP 38.5496
876 1AE1 NAP 38.5496
877 4J7U NAP 38.9313
878 4J7U YTZ 38.9313
879 2DKN NAI 38.9313
880 2RH4 EMO 38.9892
881 3ZV6 4HB 39.313
882 3ZV6 NAD 39.313
883 5WQP NAP 39.3162
884 5WQP NCA 39.3162
885 1UAY ADN 39.6694
886 3O26 NDP 39.6947
887 5WUW NAP 39.6947
888 3AFN NAP 39.9225
889 1N5D NDP 40.0763
890 4RF2 NAP 40.0763
891 4OSP NAP 40.458
892 2GDZ NAD 40.8397
893 5CG1 NAD BBN 40.8397
894 2AG5 NAD 41.0569
895 1MXH DHF 41.2214
896 1MXH NAP 41.2214
897 1ZBQ NAD 41.2214
898 3OIG NAD 41.2214
899 1FK8 NAD 41.2451
900 2Q2V NAD 41.9608
901 4YAG NAI 41.9847
902 2VZ0 D64 42.1642
903 2VZ0 NAP 42.1642
904 2WD7 NAP 42.1642
905 4CM9 NAP 42.3664
906 3BMN NAP 42.3664
907 4CME NAP 42.3664
908 4CLR NAP 42.3664
909 4CLO NAP 42.3664
910 3JQ9 NAP 42.3664
911 4CMI NAP 42.3664
912 4CM4 NAP 42.3664
913 3BMO NAP 42.3664
914 3JQ8 NAP 42.3664
915 3JQB NAP 42.3664
916 4CM8 NAP 42.3664
917 3JQG NAP 42.3664
918 3BMQ NAP 42.3664
919 3JQF NAP 42.3664
920 5EPO NAP 42.3664
921 5JCJ NAP 42.3664
922 5JDI NAP 42.3664
923 1ZK4 NAP 42.6295
924 1ZK4 AC0 42.6295
925 5THQ NDP 42.7481
926 5GWT SIN 42.7481
927 5GWT NAD 42.7481
928 6F9Q NAD 42.7481
929 4ITU 1HS 42.7509
930 4ITU NAI 42.7509
931 5K6A NAP 43.1298
932 5JDC NAP 43.1298
933 3JQ7 NAP 43.1298
934 3JQA NAP 43.1298
935 1X1T NAD 43.4615
936 2BGM NAJ 43.5115
937 5T2U NAP 43.5484
938 3AY6 NAI 43.8662
939 3AY6 BGC 43.8662
940 4KWI 1TJ 43.8931
941 4KWI NAP 43.8931
942 5EJ2 NAD 43.8931
943 4NBU NAI 44.4
944 1GEG NAD 44.5312
945 2EWM NAD 44.5783
946 3SJU NDP 44.6565
947 2DTX BMA 44.6565
948 5O98 NAP 45.0382
949 4ZGM 32M 45.1613
950 3QWI CUE 45.4198
951 3QWI NAP 45.4198
952 1YXM ADE 45.4198
953 4URF NAD 45.5645
954 5YSS NAD 45.7031
955 5OJI ISN 45.7692
956 5OJI NAP 45.7692
957 2ZAT NAP 45.7692
958 5FEU NAP 45.8015
959 2WSB NAD 46.063
960 3A28 NAD 46.124
961 1NFQ NAI 46.1538
962 1VL8 NAP 46.1832
963 3ICC NAP 46.2745
964 2BD0 NAP 46.3115
965 2AE2 NAP 46.5385
966 2AE2 PTO 46.5385
967 5FFF NAP 46.6926
968 5FFF 5XC 46.6926
969 5Z2L NDP 46.9388
970 5G4L NDP 46.9466
971 1GEE NAD 47.5096
972 1XHL NDP 47.7099
973 4FN4 NAD 48.0315
974 3TN7 NJP 48.249
975 3NUG NAD 48.583
976 1XG5 NAP 48.855
977 4CQM NAP 49.8084
Pocket No.: 2; Query (leader) PDB : 3RKR; Ligand: NAP; 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: 3rkr.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3RKR; Ligand: NAP; Similar sites found with APoc: 76
This union binding pocket(no: 3) in the query (biounit: 3rkr.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2OD9 A1R NCA 1.52672
2 1SZD APR 1.52672
3 1TE2 PGA 1.76991
4 4CNK FAD 1.9084
5 3EGI ADP 1.94175
6 2IID PHE 2.29008
7 2IID FAD 2.29008
8 4K5S FAD 2.29008
9 4K5S PM0 2.29008
10 4FWE FAD 2.29008
11 4EDF UPG 2.29008
12 3UN3 G16 2.29008
13 2YG3 FAD 2.29008
14 2IZ1 ATR 2.67176
15 3WMX THR 2.67176
16 5X62 SAH 2.67176
17 1T26 NAI 3.05344
18 1T26 GBD 3.05344
19 1ME8 RVP 3.05344
20 5WS9 AMP 3.05344
21 6DVH FMN 3.05344
22 2RGO FAD 3.43511
23 3R51 MMA 3.75
24 2XVE FAD 3.81679
25 1GPM CIT 3.81679
26 5OC1 FAD 3.81679
27 5MIT NAP 4.19847
28 5MIT FAD 4.19847
29 6F97 FAD 4.19847
30 1PL6 572 4.19847
31 1JQD SAH 4.19847
32 2HIM ASP 4.19847
33 3O84 HTJ 4.19847
34 2AOT SAH 4.19847
35 1PL6 NAD 4.19847
36 4B4U NAP 4.19847
37 5TS5 FAD 4.19847
38 1JQD HSM 4.19847
39 3H2B SAH 4.4335
40 1VAY AZA 4.58015
41 3WDM ADN 4.5977
42 4RSL FAD 4.96183
43 2YYY NAP 4.96183
44 4PLG NAI 5.34351
45 4PLG OXM 5.34351
46 2C7G ODP 5.34351
47 3ML1 MGD 5.34351
48 2Q28 ADP 5.34351
49 3KIF GDL 5.66038
50 5OCQ CIT 5.72519
51 2IV2 MGD 5.72519
52 2NYA MGD 6.10687
53 1GTE FAD 6.10687
54 1REO FAD 6.10687
55 1SG4 CO8 6.15385
56 4TM3 FAD 6.48855
57 2WTX VDO 6.75105
58 1LDM NAD 6.87023
59 1G8K MGD 6.87023
60 1NVT NAP 6.96864
61 3GDN FAD 7.25191
62 5FNU L6I 7.25191
63 5T9E NAP 7.38007
64 5KOX RFP 7.63359
65 1LLU NAD 8.01527
66 1COY FAD 8.39695
67 3GGO ENO 9.54198
68 3T31 DCQ 9.54198
69 4BQS K2Q 11.9318
70 4BQS ADP 11.9318
71 5VW2 FDA