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Receptor
PDB id Resolution Class Description Source Keywords
4B4U 1.45 Å EC: 1.5.1.5_3.5.4.9 CRYSTAL STRUCTURE OF ACINETOBACTER BAUMANNII N5, N10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE-CYCLOHYDROLASE C OMPLEXED WITH NADP COFACTOR ACINETOBACTER BAUMANNII ATCC 19606 OXIDOREDUCTASE
Ref.: ACINETOBACTER BAUMANNII FOLD LIGAND COMPLEXES; POTE INHIBITORS OF FOLATE METABOLISM AND A RE-EVALUATION LY374571 STRUCTURE. FEBS J. V. 279 4350 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1283;
A:1284;
A:1285;
B:1283;
B:1284;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:1286;
A:1287;
B:1285;
B:1286;
B:1287;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAP A:1001;
B:1001;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
PEG A:1288;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B4U 1.45 Å EC: 1.5.1.5_3.5.4.9 CRYSTAL STRUCTURE OF ACINETOBACTER BAUMANNII N5, N10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE-CYCLOHYDROLASE C OMPLEXED WITH NADP COFACTOR ACINETOBACTER BAUMANNII ATCC 19606 OXIDOREDUCTASE
Ref.: ACINETOBACTER BAUMANNII FOLD LIGAND COMPLEXES; POTE INHIBITORS OF FOLATE METABOLISM AND A RE-EVALUATION LY374571 STRUCTURE. FEBS J. V. 279 4350 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4B4W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4B4U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4B4V - L34 C20 H21 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4B4W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4B4U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4B4V - L34 C20 H21 N7 O7 c1cc(ccc1C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DIA Ki = 455 uM L24 C21 H25 N5 O6 c1cc(ccc1C....
2 1A4I - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DIG Ki = 431 uM L37 C17 H19 N7 O7 c1cc(ccc1C....
4 3NGL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4CJX - 9L9 C17 H19 N7 O7 c1cc(ccc1C....
6 4B4W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4B4U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4B4V - L34 C20 H21 N7 O7 c1cc(ccc1C....
9 5TC4 ic50 = 663 nM L34 C20 H21 N7 O7 c1cc(ccc1C....
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 : 4B4U; Ligand: NAP; Similar sites found with APoc: 808
This union binding pocket(no: 1) in the query (biounit: 4b4u.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z0H NAD 0.990099
2 1KYQ NAD 1.09489
3 1CER NAD 1.32013
4 1A5Z NAD 1.32013
5 1D1T NAD 1.32013
6 3ETG NDP 1.65016
7 3ETG GLU 1.65016
8 3ETG GTP 1.65016
9 4EMI FAD 1.65016
10 3L4S NAD 1.65016
11 3L4S 3PG 1.65016
12 4EMI NAD 1.65016
13 5VN0 FAD 1.65016
14 5VN0 NAI 1.65016
15 4OOE FOM 1.65016
16 4OOE NDP 1.65016
17 4KP7 1UQ 1.65016
18 2XVF FAD 1.65016
19 5X20 NAD 1.65016
20 1EQ2 NAP 1.65016
21 5AHO TLA 1.65016
22 5JE8 NAD 1.65563
23 5OJL TXP 1.67785
24 3FPF TNA 1.67785
25 3FPF MTA 1.67785
26 3GRU AMP 1.69492
27 2NU8 COA 1.73611
28 4D79 ATP 1.81159
29 1XHC FAD 1.9802
30 3H9E NAD 1.9802
31 5FJN BE2 1.9802
32 5FJN FAD 1.9802
33 5UR0 NAD 1.9802
34 2R4J 13P 1.9802
35 2R4J FAD 1.9802
36 5XWC 8GL 1.9802
37 5XWC 2IT 1.9802
38 5XWC NAP 1.9802
39 1K3T BRZ 1.9802
40 5HSA FAS 1.9802
41 3ITJ FAD 1.9802
42 1E5Q NDP 1.9802
43 5MQ6 NDP 1.9802
44 3BAZ NAP 1.9802
45 1VDC FAD 1.9802
46 1E3I CXF 1.9802
47 5AOV NAP 1.9802
48 1EZ4 NAD 1.9802
49 1RYD NDP 1.9802
50 1U1I NAD 1.9802
51 5AOV GLV 1.9802
52 3H8V ATP 2.05479
53 2I7C AAT 2.12014
54 3OIG NAD 2.25564
55 5ZRR 9J3 2.26415
56 5EPO NAP 2.29008
57 1FEC FAD 2.31023
58 2E5V FAD 2.31023
59 5G3U ITW 2.31023
60 5G3U FDA 2.31023
61 1PS9 NAP 2.31023
62 3LXD FAD 2.31023
63 1HYH NAD 2.31023
64 5J60 FAD 2.31023
65 3HAD NAD 2.31023
66 1PS9 FAD 2.31023
67 1NAA 6FA 2.31023
68 1NAA ABL 2.31023
69 2YVF NAD 2.31023
70 2YVF FAD 2.31023
71 2YG3 FAD 2.31023
72 4UP3 NDP 2.31023
73 1KOL NAD 2.31023
74 5ZBC FAD 2.31023
75 3HDY FAD 2.31023
76 1I8T FAD 2.31023
77 3HDY FDA 2.31023
78 3HDY GDU 2.31023
79 1FL2 FAD 2.31023
80 2YVJ NAI 2.31023
81 3S5W FAD 2.31023
82 4USR FAD 2.31023
83 2FZW NAD 2.31023
84 5NA1 FAD 2.31023
85 1F8G NAD 2.31023
86 3GDN HBX 2.31023
87 3GDN FAD 2.31023
88 4UP3 FAD 2.31023
89 5MLR NAP 2.31023
90 5MLR GRQ 2.31023
91 3S5W NAP 2.31023
92 4I3V NAD 2.31023
93 1T90 NAD 2.31023
94 5OVL NAP 2.33333
95 3OJF NDP 2.33463
96 4YCA NDP 2.38095
97 2CVZ NDP 2.42215
98 1WP4 NDP 2.42215
99 1C3V NDP 2.44898
100 1PR9 NAP 2.45902
101 4E13 NAD 2.4735
102 2F1K NAP 2.50896
103 5BSH PRO 2.52708
104 2VSS ACO 2.53623
105 2VSU ACO 2.54545
106 1XCL SAH 2.55319
107 1KEV NDP 2.5641
108 1NYT NAP 2.58303
109 1ZK7 FAD 2.64026
110 4ZVV NAD 2.64026
111 9LDB NAD 2.64026
112 1HDG NAD 2.64026
113 3RNM FAD 2.64026
114 5OC1 FAD 2.64026
115 3CMC NAD 2.64026
116 4ZVV GN0 2.64026
117 3QV1 NAD 2.64026
118 6F97 FAD 2.64026
119 3WMX NAD 2.64026
120 5BRT FAD 2.64026
121 5BRT CH9 2.64026
122 2I3G NAP 2.64026
123 9LDT NAD 2.64026
124 5X9D 80F 2.64026
125 4BJZ P3A 2.64026
126 4BJZ FAD 2.64026
127 3GGO NAI 2.64026
128 3GGO ENO 2.64026
129 1B8U OAA 2.64026
130 1B8U NAD 2.64026
131 3ABI NAD 2.64026
132 1H5Q NAP 2.64026
133 3CV3 UDP 2.64026
134 4LY9 1YY 2.64026
135 4LY9 S6P 2.64026
136 2C6Q IMP 2.64026
137 4A62 ANP 2.64026
138 1VL0 NAI 2.73973
139 2DKN NAI 2.7451
140 3UOY FAD 2.75229
141 3UOY NAP 2.75229
142 4XUC 43G 2.75229
143 4XUC SAM 2.75229
144 3RJ5 NAD 2.75591
145 2G5C NAD 2.84698
146 5YAP 8S0 2.89474
147 5YAP NAI 2.89474
148 2PD4 DCN 2.90909
149 2HNK SAH 2.92887
150 4YNU LGC 2.9703
151 4YNU FAD 2.9703
152 3CIF NAD 2.9703
153 2F5Z FAD 2.9703
154 1YKJ FAD 2.9703
155 1YKJ PHB 2.9703
156 2B4R NAD 2.9703
157 2B4R AES 2.9703
158 5J5Z FAD 2.9703
159 2GZ3 NAP 2.9703
160 1MV8 NAD 2.9703
161 4C3Y ANB 2.9703
162 3FPZ AHZ 2.9703
163 4C3Y FAD 2.9703
164 1MUU NAD 2.9703
165 3CIF G3H 2.9703
166 3AYI HCI 2.9703
167 3AYI FAD 2.9703
168 3LAD FAD 2.9703
169 3F8D FAD 2.9703
170 4CNK FAD 2.9703
171 2QRK AMP 2.9703
172 6CEP OXM 2.9703
173 6CEP NAD 2.9703
174 4D7E FAD 2.9703
175 3OA2 NAD 2.9703
176 2DBZ NAP 2.9703
177 1VKO NAD 2.9703
178 5Y1G AKB 2.9703
179 5Y1G NAD 2.9703
180 6BQ6 TER 2.9703
181 1YB5 NAP 2.9703
182 2GDZ NAD 2.9703
183 6AA8 NAD 2.98013
184 1QG6 NAD 3.06513
185 1QG6 TCL 3.06513
186 5FEU NAP 3.09278
187 6GNA FAD 3.125
188 6ALW BNV 3.125
189 5KVA SAM 3.23741
190 2BGM NAJ 3.23741
191 6ER9 FAD 3.27869
192 6ER9 NAP 3.27869
193 1YQD NAP 3.27869
194 1HDR NAD 3.27869
195 1LDM NAD 3.30033
196 2WPF WPF 3.30033
197 1LTH NAD 3.30033
198 2WPF FAD 3.30033
199 4FWE FAD 3.30033
200 4GUT FAD 3.30033
201 3VPH NAD 3.30033
202 3VPH OXM 3.30033
203 1J49 NAD 3.30033
204 3OJO NAD 3.30033
205 1GTE FAD 3.30033
206 3H5N ATP 3.30033
207 5X68 FAD 3.30033
208 3WLE NAD 3.30033
209 3G5S FAD 3.30033
210 1V6A TRE 3.30033
211 5HXI FAD 3.30033
212 5KMS FAD 3.30033
213 1YJQ NAP 3.30033
214 4YT4 FE9 3.30033
215 5HXI 5HN 3.30033
216 5EB4 FAD 3.30033
217 3GMB FAD 3.30033
218 4ZGS NAD 3.30033
219 5WS9 AMP 3.30033
220 6EJI UD2 3.30033
221 1NLM UD1 3.30033
222 1R37 NAD 3.30033
223 4HXY NDP 3.30033
224 2B5W NAP 3.36134
225 1IY8 NAD 3.37079
226 2EV9 SKM 3.42205
227 2EV9 NAP 3.42205
228 3V1U NAD 3.4632
229 4JK3 NAD 3.4749
230 4J4H NAI 3.4749
231 4J4H 1J1 3.4749
232 5FFF 5XC 3.50195
233 5FFF NAP 3.50195
234 3VZS NAP 3.50195
235 4I42 1HA 3.50877
236 1Z82 NDP 3.58209
237 3ORF NAD 3.58566
238 4MOP 2H5 3.63036
239 1BZL GCG 3.63036
240 1BZL FAD 3.63036
241 6F3M NAD 3.63036
242 6F3N NAD 3.63036
243 6F3N ADN 3.63036
244 4Z24 FAD 3.63036
245 5EOW FAD 3.63036
246 2DKH FAD 3.63036
247 2DKH 3HB 3.63036
248 1H82 FAD 3.63036
249 1H82 GZZ 3.63036
250 1PGP 6PG 3.63036
251 1ELI PYC 3.63036
252 1UWK NAD 3.63036
253 1UWK URO 3.63036
254 4XYB NDP 3.63036
255 5UAO FAD 3.63036
256 5WGR FAD 3.63036
257 1RM0 D6P 3.63036
258 1RM0 NAI 3.63036
259 3S2U UD1 3.63036
260 5JFL NAD 3.63036
261 1Q0H FOM 3.69458
262 5D4V SAH 3.73134
263 5TWB FAD 3.77907
264 2AHR NAP 3.861
265 1RP0 AHZ 3.87324
266 3A28 NAD 3.87597
267 3AFN NAP 3.87597
268 1GQ2 NAP 3.9604
269 4PLG OXM 3.9604
270 4PLG NAI 3.9604
271 5KVS NAP 3.9604
272 5KVS 6XR 3.9604
273 1MO9 KPC 3.9604
274 1MO9 FAD 3.9604
275 3T31 DCQ 3.9604
276 3T31 FAD 3.9604
277 5ZYN FAD 3.9604
278 4YKG NAD 3.9604
279 4YKG FAD 3.9604
280 1LLU NAD 3.9604
281 3KLJ FAD 3.9604
282 3OZ2 FAD 3.9604
283 4JJF N2I 3.9604
284 4JJF FE9 3.9604
285 2Q0L FAD 3.9604
286 2AQJ TRP 3.9604
287 2AQJ FAD 3.9604
288 4AP3 FAD 3.9604
289 4AP3 NAP 3.9604
290 5AYV NAP 3.9604
291 4HA6 FAD 3.9604
292 5K0A FAD 3.9604
293 4REP FAD 3.9604
294 4GKV NAD 3.9604
295 1L7E NAI 3.9604
296 2Q0L NAP 3.9604
297 3WBF NAP 3.9604
298 3WBF API 3.9604
299 2CVQ NDP 3.9604
300 5AYV KPL 3.9604
301 4E5N NAD 3.9604
302 1PL6 NAD 3.9604
303 1PL6 572 3.9604
304 3D3W NAP 3.9604
305 4IX4 ADP 3.9604
306 2CFC NAD 4
307 4I4Z 2NE 4
308 4O0L NDP 4
309 3AXB PRO 4.01786
310 3AXB FAD 4.01786
311 5T9F NAP 4.05904
312 5T9E NAP 4.05904
313 5T9F TYR 4.05904
314 6GNC FAD 4.08163
315 1H5R THM 4.09556
316 3RKR NAP 4.19847
317 1ZEM NAD 4.19847
318 5YEC ATP 4.20168
319 1ZQ9 SAM 4.21053
320 4ZCC FAD 4.29043
321 4ZCC NAI 4.29043
322 2VVM FAD 4.29043
323 2VVL FAD 4.29043
324 2C7G ODP 4.29043
325 2C7G FAD 4.29043
326 1Y8Q ATP 4.29043
327 1J0X NAD 4.29043
328 4D04 FAD 4.29043
329 4D04 NAP 4.29043
330 1O6Z NAD 4.29043
331 3NTA FAD 4.29043
332 3NTD FAD 4.29043
333 3NT6 FAD 4.29043
334 1COY FAD 4.29043
335 1COY AND 4.29043
336 5NII FAD 4.29043
337 5K4W NAI 4.29043
338 5FI3 NAP 4.29043
339 1H2B NAJ 4.29043
340 1O0S NAI 4.29043
341 1PZG A3D 4.29043
342 4EDF UPG 4.29043
343 5CAE SIN 4.29043
344 5CAE COA 4.29043
345 6BII NAP 4.29043
346 6C4M NAP 4.29043
347 3GFB NAD 4.29043
348 2DFV NAD 4.29043
349 1P0F NAP 4.29043
350 6EL3 NAP 4.29043
351 4KQW NAP 4.29043
352 4YRY NAD 4.34783
353 4YRY FAD 4.34783
354 1J5P NAD 4.34783
355 1VL8 NAP 4.49438
356 5Z2F NAP 4.5283
357 1I36 NAP 4.54545
358 2BKA NDP 4.54545
359 3WV8 ATP 4.58716
360 1E3W NAD 4.5977
361 1E6W NAD 4.61538
362 1GV0 NAD 4.62046
363 4OPC FDA 4.62046
364 4OPC PGT 4.62046
365 3WGT QSC 4.62046
366 3WGT FAD 4.62046
367 4JDR FAD 4.62046
368 1DSS NAD 4.62046
369 1RYI GOA 4.62046
370 4X9M FAD 4.62046
371 1LDN NAD 4.62046
372 1RYI FAD 4.62046
373 1NVM NAD 4.62046
374 3GF4 FAD 4.62046
375 3GF4 UPG 4.62046
376 2Y6Q I7T 4.62046
377 2Y6Q FAD 4.62046
378 2RGH FAD 4.62046
379 3FWN ATR 4.62046
380 2YYY NAP 4.62046
381 4QIJ 1HA 4.62046
382 3Q9T FAY 4.62046
383 5DNK SAH 4.62046
384 5GWT NAD 4.62046
385 5UCD NAP 4.62046
386 4MIG G3F 4.62963
387 3OFK SAH 4.62963
388 1GEG NAD 4.6875
389 2WSB NAD 4.72441
390 5Z20 NAI 4.92754
391 2GMH FAD 4.9505
392 1SOW NAD 4.9505
393 5GSN FAD 4.9505
394 5GSN NAP 4.9505
395 5TTJ FAD 4.9505
396 1GR0 NAD 4.9505
397 5GSN MMZ 4.9505
398 1QO8 FAD 4.9505
399 3SSO SAH 4.9505
400 5JCA FAD 4.9505
401 5JCA NDP 4.9505
402 4L8V NAP 4.9505
403 6F7L FAD 4.9505
404 5NMX NAP 4.9505
405 4TM3 FAD 4.9505
406 1YS4 NAP 4.9505
407 2V6G NAP 4.9505
408 5NMX FAD 4.9505
409 3MAG SAH 4.9505
410 5TS5 FAD 4.9505
411 1VJT NAD 4.9505
412 3HVJ 705 4.97738
413 3MCT SAH 5.05051
414 1P77 ATR 5.14706
415 4RDH AMP 5.20833
416 4RDI ATP 5.20833
417 1KNR FAD 5.28053
418 1E1M FAD 5.28053
419 1E1M NAP 5.28053
420 1GAD NAD 5.28053
421 2VYN NAD 5.28053
422 5Z75 NAD 5.28053
423 3UCL CYH 5.28053
424 3UCL NAP 5.28053
425 3UCL FAD 5.28053
426 4NTC FAD 5.28053
427 2IID PHE 5.28053
428 2IID FAD 5.28053
429 1REO FAD 5.28053
430 2Z3Y F2N 5.28053
431 4B63 ORN 5.28053
432 4B63 FAD 5.28053
433 4B63 NAP 5.28053
434 3E1T FAD 5.28053
435 3V1Y NAD 5.28053
436 2Q1S NAI 5.28053
437 2O4C NAD 5.28053
438 3NDJ JHZ 5.28053
439 3NDJ SAH 5.28053
440 4XDY NAI 5.28053
441 6H3O FAD 5.28053
442 6C4T NA7 5.28053
443 4KOA NDP 5.28053
444 1OMO NAD 5.28053
445 3WQT ANP 5.28053
446 2J4K U5P 5.30973
447 2AE2 NAP 5.38462
448 2AE2 PTO 5.38462
449 5WUW NAP 5.57491
450 5U8U FAD 5.61056
451 5M67 NAD 5.61056
452 5M67 ADE 5.61056
453 2HJR APR 5.61056
454 5JWC FAD 5.61056
455 3SQP FAD 5.61056
456 5M67 3D1 5.61056
457 3QJ4 FAD 5.61056
458 3QVP FAD 5.61056
459 3AB1 FAD 5.61056
460 5BUK FAD 5.61056
461 1GPE FAD 5.61056
462 3DAG FEG 5.61056
463 2RGJ FAD 5.61056
464 1U3U NAD 5.61056
465 1U3U BNF 5.61056
466 4USQ FAD 5.61056
467 4DSG UDP 5.61056
468 4DSG FAD 5.61056
469 3O9Z AKG 5.61056
470 3O9Z NAD 5.61056
471 5T67 JHZ 5.61056
472 5T67 SAH 5.61056
473 2GLX NDP 5.61056
474 4CQM NAP 5.7377
475 6F9Q NAD 5.88235
476 3CGD NAD 5.94059
477 3CGD COA 5.94059
478 3CGD FAD 5.94059
479 3CGB FAD 5.94059
480 5I39 FAD 5.94059
481 5MZI FAD 5.94059
482 1Q1R FAD 5.94059
483 5MZI FYK 5.94059
484 3FG2 FAD 5.94059
485 3NYC IAR 5.94059
486 3NYC FAD 5.94059
487 4MO2 FDA 5.94059
488 4MO2 FAD 5.94059
489 3TWO NDP 5.94059
490 4EIP FAD 5.94059
491 4EIP K2C 5.94059
492 4W6Z 8ID 5.94059
493 4Y9D NAI 5.94059
494 5T2Y 753 6.06061
495 5Y8L NAD 6.1017
496 5Y8L HUI 6.1017
497 1VM6 NAD 6.14035
498 1Q7B NAP 6.14754
499 1E6E FAD 6.25
500 1GZ4 ATP 6.27063
501 2NPX NAD 6.27063
502 4NTD FAD 6.27063
503 5JY6 NAD 6.27063
504 1X7D NAD 6.27063
505 1X7D ORN 6.27063
506 2GSD NAD 6.27063
507 2NPX FAD 6.27063
508 2PV7 NAD 6.27063
509 2IVD FAD 6.27063
510 6GAS FAD 6.27063
511 4IV9 FAD 6.27063
512 1GET FAD 6.27063
513 1GET NAP 6.27063
514 6FHO FAD 6.27063
515 4XQC 13D 6.27063
516 4XQC NAD 6.27063
517 2JHF NAD 6.27063
518 3KB6 NAD 6.27063
519 3A06 NDP 6.27063
520 3A06 FOM 6.27063
521 1CDO NAD 6.27063
522 5T2U NAP 6.27063
523 5TUK FAD 6.37255
524 4M52 M52 6.43777
525 4M52 FAD 6.43777
526 2A8X FAD 6.46552
527 5O9F NAD 6.53409
528 5O9F 9ON 6.53409
529 4MP8 MLI 6.60066
530 4MP8 NAD 6.60066
531 1YQZ FAD 6.60066
532 1UXG NAD 6.60066
533 1UXG FUM 6.60066
534 3ZNN 4WL 6.60066
535 3ZNN FAD 6.60066
536 5MIT FAD 6.60066
537 5MIT NAP 6.60066
538 1YY5 FAD 6.60066
539 3NJ4 AFX 6.60066
540 3NJ4 NAD 6.60066
541 1LVL FAD 6.60066
542 4BV6 FAD 6.60066
543 3K7M FAD 6.60066
544 6C4N NAP 6.60066
545 1Q9I TEO 6.60066
546 1Q9I FAD 6.60066
547 2ZXI FAD 6.60066
548 4RPL FAD 6.60066
549 2GCG NDP 6.60066
550 4RPL 3UC 6.60066
551 2IZ1 ATR 6.60066
552 1TB4 PEJ 6.60066
553 1LVL NAD 6.60066
554 2BD0 NAP 6.60066
555 3VYW SAM 6.60066
556 4ZDC CO8 6.60066
557 1NV8 MEQ 6.69014
558 5ZZ6 NAD 6.73077
559 5ZZ6 ADP 6.73077
560 1ZK4 NAP 6.77291
561 2YY7 NAD 6.93069
562 5MBX FAD 6.93069
563 5MBX SP5 6.93069
564 2NAD NAD 6.93069
565 6GAR FAD 6.93069
566 1TDF FAD 6.93069
567 2Q7V FAD 6.93069
568 2VTD LKM 6.93069
569 1TDF NAP 6.93069
570 1X87 NAD 6.93069
571 6FP4 FAD 6.93069
572 6FP4 E1T 6.93069
573 5XVH NAP 6.93069
574 1X14 NAD 6.93069
575 1PJS NAD 6.93069
576 5O4J SAH 6.93431
577 5O4J 9KH 6.93431
578 5O4J PJL 6.93431
579 3Q3C NAD 7.02341
580 1UAY ADN 7.02479
581 5TUF FAD 7.26073
582 1PN0 FAD 7.26073
583 1PN0 IPH 7.26073
584 5TUF TDC 7.26073
585 1SC6 NAD 7.26073
586 5EZ7 FAD 7.26073
587 6AIN FAD 7.26073
588 4K5S FAD 7.26073
589 4K5S PM0 7.26073
590 3B1F NAD 7.26073
591 5W3K 9TY 7.26073
592 1LJ8 NAD 7.26073
593 1M2W NAD 7.26073
594 5W3K NDP 7.26073
595 1RKX NAD 7.26073
596 2YGM GLA NAG GAL FUC 7.26073
597 5OCM NAP 7.26073
598 4DPL NAP 7.26073
599 1AE1 NAP 7.32601
600 2CUL FAD 7.32759
601 5THQ NDP 7.35294
602 1P1C SAH 7.53769
603 1C0I BE2 7.59076
604 1C0I FAD 7.59076
605 5YB7 ORN 7.59076
606 5YB7 FAD 7.59076
607 5GZ6 NDP 7.59076
608 5GZ6 7C3 7.59076
609 5H81 NAP 7.59076
610 3NKS FAD 7.59076
611 5NUF NAD 7.59076
612 5NUE NAD 7.59076
613 5VKT NAP 7.59076
614 4OSP NAP 7.60456
615 4EA7 JB2 7.72727
616 4EA7 COA 7.72727
617 4MDH NAD 7.78443
618 5MDH NAD 7.80781
619 2D3S TNR 7.85124
620 2Q46 NAP 7.90514
621 2BRY FAD 7.92079
622 5YU3 NAD 7.92079
623 5YU3 PRO 7.92079
624 1V59 FAD 7.92079
625 4TXI FAD 7.92079
626 4BVA T3 7.92079
627 4BVA NDP 7.92079
628 2HQM FAD 7.92079
629 1V59 NAD 7.92079
630 4XYM COA 7.92079
631 2IV3 UDP 7.92079
632 4XZ3 COA 7.92079
633 1JQ3 AAT 7.92079
634 2B4Q NAP 7.97101
635 1RM4 NDP 8.01187
636 2DT5 NAD 8.05687
637 3CTY FAD 8.25082
638 4PLT NAI 8.25082
639 4PLT OXM 8.25082
640 1UP7 NAD 8.25082
641 4XB2 NDP 8.25082
642 4XB2 HSE 8.25082
643 4R5M 4NO 8.25082
644 4R5M NAP 8.25082
645 3L9W AMP 8.25082
646 4YWV SSN 8.25082
647 2OD9 A1R NCA 8.25082
648 3L9W GSH 8.25082
649 2XYQ SAH 8.27586
650 2CJF RP4 8.28025
651 5N6C NAD 8.33333
652 4EMJ FAD 8.41121
653 5ZW3 SAH 8.44444
654 2DC1 NAD 8.47458
655 1JAY NAP 8.49057
656 1WDK NAD 8.58086
657 5J7X FAD 8.58086
658 1ZH8 NAP 8.58086
659 1F06 NDP 8.58086
660 1F06 2NP 8.58086
661 1JNR FAD 8.66667
662 1GUZ NAD 8.70968
663 1NVT NAP 8.7108
664 2VT3 ATP 8.83721
665 2CDC XYP 8.91089
666 2WET FAD 8.91089
667 2CDC XYS 8.91089
668 2CDC NAP 8.91089
669 2NVK FAD 8.91089
670 1BW9 NAD 8.91089
671 1C1X NAD 8.91089
672 2NVK NAP 8.91089
673 1BXG NAD 8.91089
674 1WVG APR 8.91089
675 1EBF NAD 8.91089
676 2HMT NAI 9.02778
677 2GAG NAD 9.24092
678 5LD5 NAD 9.24092
679 2GAG FOA 9.24092
680 2GAG FAD 9.24092
681 4ITU NAI 9.29368
682 1VI2 NAD 9.33333
683 5OFW 9TW 9.41704
684 4TSK NDP 9.42857
685 2CDU FAD 9.57096
686 4OM8 NAD 9.57096
687 3IHG FAD 9.57096
688 2CDU ADP 9.57096
689 1GY8 NAD 9.57096
690 4XT8 TMQ 9.57096
691 4XT8 NAP 9.57096
692 1NPD NAD 9.72222
693 3ICT FAD 9.90099
694 1RSG FAD 9.90099
695 2RAB FAD 9.90099
696 2RAB NAD 9.90099
697 3ICR FAD 9.90099
698 2VHW NAI 9.90099
699 3ICS FAD 9.90099
700 5DN9 NAD 9.90099
701 2GV8 NDP 9.90099
702 1VQW FAD 9.90099
703 2GV8 FAD 9.90099
704 2GVC FAD 9.90099
705 3ICS ADP 9.90099
706 3C6K MTA 9.90099
707 3GXZ NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 9.90099
708 3C6K SPD 9.90099
709 3ICT ADP 9.90099
710 4YSX FAD 10.1064
711 3CYQ AMU 10.1449
712 3HGM ATP 10.2041
713 4U8P FDA 10.231
714 4U8P UDP 10.231
715 3QFA FAD 10.231
716 2RGO FAD 10.231
717 2AG8 NAP 10.231
718 5KOX FAD 10.231
719 5KOX RFP 10.231
720 1CF2 NAP 10.231
721 1JXZ BCA 10.4089
722 6A3J NAI 10.5611
723 6A3J SOE 10.5611
724 5Y77 FAD 10.5611
725 4RSL FAD 10.5611
726 4RQU NAD 10.5611
727 5N53 8NB 10.7692
728 5Y6Q FAD 10.9091
729 5JCM ISD 11.0865
730 5JCM NAD 11.0865
731 5JCM FAD 11.0865
732 1NZY BCA 11.1524
733 5UAV NDP 11.1801
734 5UAV TFB 11.1801
735 2A92 NAI 11.2211
736 3B20 NAD 11.2211
737 3B1J NAD 11.2211
738 2D2I NAP 11.2211
739 1SAY PYR 11.2211
740 2QA1 FAD 11.5512
741 1TUU PIS 11.5512
742 2IXB NAD 11.5512
743 2IXB A2G 11.5512
744 1TUU ADP 11.5512
745 1TUU AMP 11.5512
746 4XDZ NDP 11.6618
747 1T26 GBD 11.8812
748 1T26 NAI 11.8812
749 4J36 FAD 11.8812
750 1HKU NAD 11.8812
751 4J36 1HR 11.8812
752 1NM5 NAD 11.8812
753 1NM5 NAP 11.8812
754 4D42 W0I 12.0567
755 4D42 NAP 12.0567
756 4JNA FAD 12.0588
757 1D4D FAD 12.4126
758 3GD4 FAD 12.5413
759 3GD4 NAD 12.5413
760 3QWI NAP 12.5926
761 1U7T NAD 12.6437
762 1U7T TDT 12.6437
763 3N8K D1X 12.7907
764 5Z21 NAI 12.8713
765 1DLJ NAI 12.8713
766 1DLJ UGA 12.8713
767 5GUD 2IT 13.2013
768 5GUD NDP 13.2013
769 5GUD CIT 13.2013
770 5BVA FAD 13.2013
771 1OBB NAD 13.2013
772 3AD8 NAD 13.5314
773 3AD8 PYC 13.5314
774 3AD8 FAD 13.5314
775 1Y1P NMN AMP PO4 13.8614
776 2WQ4 SFU 14.1026
777 3LZW FAD 14.1914
778 3LZW NAP 14.1914
779 2B9W FAD 14.1914
780 3KJS NAP 14.1914
781 5ODQ FAD 14.5215
782 4QED NAP 14.9194
783 1LSS NAD 15
784 2XB8 XNW 15.0685
785 1DJN ADP 15.5116
786 1O94 ADP 15.5116
787 1V8B NAD 15.8416
788 3OND NAD 16.1716
789 3OND ADN 16.1716
790 4RVG SAM 16.8317
791 4RVG TYD 16.8317
792 1F8F NAD 16.8317
793 3OID NDP 18.2171
794 4YAG NAI 18.3391
795 5L95 AMP 18.75
796 5TOW NAI 19.1419
797 5TOW ADN 19.1419
798 4J56 FAD 19.2982
799 4HSU FAD 20
800 2ZFZ ARG 20.2532
801 4II2 ATP 20.4819
802 2OOR NAD 20.6897
803 2ZJ1 NAD 25.4125
804 2ZJ1 ARJ 25.4125
805 2HK9 NAP 27.6364
806 2HK9 ATR 27.6364
807 4GUS FAD 28.5714
808 4M7V RAR 36
Pocket No.: 2; Query (leader) PDB : 4B4U; Ligand: NAP; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 4b4u.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4FGC PQ0 1.21212
2 1UPR 4IP 1.62602
3 3IHB GLU 1.9802
4 2XOC ADP 2.29885
5 3UG4 AHR 2.31023
6 5CX6 CDP 2.64026
7 5YW5 ADE 2.7933
8 5UC4 83S 3.18182
9 5C9P FUC 3.30033
10 2ADD SUC 3.30033
11 3B8I OXL 3.48432
12 3BP1 GUN 3.7931
13 5M37 9SZ 3.91304
14 5KTI TRE 6X6 4.02685
15 4NTM 2K8 4.13223
16 4DVE BTN 5.05051
17 4P7U 1PS 5.35714
18 5XK9 DMA 6.46552
19 1CX4 CMP 6.60066
20 1M2Z BOG 7.00389
21 4OKD GLC GLC GLC 7.92079
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