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Receptor
PDB id Resolution Class Description Source Keywords
2QQF 2 Å EC: 3.5.1.- HST2 BOUND TO ADP-HPD AND ACETYLATED HISTONE H4 SACCHAROMYCES CEREVISIAE SIR2 HST2 HISTONE DEACETYLASE SN1 HYDROLASE METAL-BINDINUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BA EXCHANGE IN SIR2 ENZYMES. MOL.CELL V. 25 463 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A1R A:1001;
Valid;
none;
submit data
542.332 C15 H24 N6 O12 P2 c1nc(...
ZN A:701;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QQF 2 Å EC: 3.5.1.- HST2 BOUND TO ADP-HPD AND ACETYLATED HISTONE H4 SACCHAROMYCES CEREVISIAE SIR2 HST2 HISTONE DEACETYLASE SN1 HYDROLASE METAL-BINDINUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BA EXCHANGE IN SIR2 ENZYMES. MOL.CELL V. 25 463 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2QQF - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
2 2QQG - A1R NCA n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2OD9 - A1R NCA n/a n/a
2 2OD7 - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
3 2OD2 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 2QQF - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
5 2QQG - A1R NCA n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2OD9 - A1R NCA n/a n/a
2 2OD7 - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
3 2OD2 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 2QQF - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
5 2QQG - A1R NCA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A1R; Similar ligands found: 329
No: Ligand ECFP6 Tc MDL keys Tc
1 A1R 1 1
2 A2D 0.78481 0.907895
3 BA3 0.743902 0.907895
4 A3R 0.736264 1
5 AP5 0.73494 0.907895
6 B4P 0.73494 0.907895
7 AN2 0.72619 0.896104
8 APR 0.72093 0.907895
9 AR6 0.72093 0.907895
10 ADP 0.714286 0.907895
11 ATP 0.709302 0.907895
12 HEJ 0.709302 0.907895
13 AT4 0.705882 0.873418
14 5FA 0.701149 0.907895
15 AQP 0.701149 0.907895
16 M33 0.697674 0.896104
17 AGS 0.693182 0.8625
18 AD9 0.693182 0.884615
19 SAP 0.693182 0.8625
20 ACP 0.689655 0.909091
21 AMP 0.662651 0.881579
22 A 0.662651 0.881579
23 A22 0.659574 0.896104
24 ANP 0.659341 0.884615
25 ACQ 0.659341 0.909091
26 CA0 0.659091 0.884615
27 ADX 0.659091 0.821429
28 5AL 0.652174 0.871795
29 50T 0.651685 0.871795
30 9X8 0.649485 0.8625
31 ATF 0.645161 0.873418
32 PRX 0.644444 0.860759
33 ABM 0.639535 0.858974
34 6YZ 0.638298 0.909091
35 SRP 0.638298 0.922078
36 3OD 0.636364 0.884615
37 OAD 0.632653 0.884615
38 ADQ 0.628866 0.909091
39 A12 0.625 0.922078
40 AP2 0.625 0.922078
41 8QN 0.618557 0.871795
42 SRA 0.616279 0.8375
43 4AD 0.612245 0.910256
44 AMO 0.612245 0.922078
45 PR8 0.61 0.936709
46 APC 0.608696 0.922078
47 TAT 0.606383 0.873418
48 T99 0.606383 0.873418
49 AU1 0.604396 0.884615
50 BIS 0.60396 0.851852
51 G3A 0.6 0.841463
52 25L 0.598039 0.896104
53 PAJ 0.59596 0.853659
54 G5P 0.59434 0.841463
55 LAD 0.594059 0.924051
56 AP0 0.590909 0.841463
57 00A 0.59 0.829268
58 AHX 0.59 0.911392
59 DQV 0.588785 0.896104
60 NB8 0.588235 0.8875
61 ME8 0.588235 0.833333
62 DND 0.587156 0.873418
63 NAI 0.587156 0.851852
64 NXX 0.587156 0.873418
65 5SV 0.585859 0.841463
66 25A 0.585859 0.883117
67 OOB 0.585859 0.871795
68 ADP PO3 0.585106 0.881579
69 RBY 0.585106 0.922078
70 ADV 0.585106 0.922078
71 TXE 0.581818 0.898734
72 WAQ 0.578431 0.898734
73 ALF ADP 0.57732 0.817073
74 ADP ALF 0.57732 0.817073
75 MAP 0.575758 0.8625
76 ADJ 0.575221 0.890244
77 DLL 0.574257 0.871795
78 GTA 0.574074 0.811765
79 PTJ 0.572816 0.819277
80 FYA 0.572816 0.921053
81 6V0 0.572727 0.864198
82 TXD 0.572727 0.898734
83 NAX 0.572727 0.865854
84 YAP 0.571429 0.886076
85 FA5 0.571429 0.897436
86 3UK 0.568627 0.860759
87 AFH 0.564815 0.876543
88 48N 0.563636 0.864198
89 B5V 0.563107 0.85
90 9SN 0.561905 0.819277
91 T5A 0.561404 0.879518
92 DAL AMP 0.56 0.848101
93 SON 0.55914 0.897436
94 UP5 0.558559 0.8625
95 TXA 0.557692 0.873418
96 1ZZ 0.557692 0.833333
97 A4P 0.557522 0.837209
98 GAP 0.556701 0.884615
99 CNA 0.556522 0.897436
100 VO4 ADP 0.555556 0.871795
101 ADP VO4 0.555556 0.871795
102 9ZD 0.554455 0.829268
103 9ZA 0.554455 0.829268
104 OMR 0.553571 0.845238
105 F2R 0.551724 0.879518
106 XAH 0.551402 0.901235
107 80F 0.550847 0.835294
108 LMS 0.550562 0.77907
109 YLP 0.54955 0.902439
110 139 0.547826 0.9125
111 B5Y 0.542056 0.839506
112 B5M 0.542056 0.839506
113 2A5 0.541667 0.909091
114 TYM 0.539823 0.897436
115 7D4 0.536842 0.871795
116 4UU 0.536364 0.839506
117 4TC 0.535088 0.864198
118 YLC 0.535088 0.901235
119 YLB 0.535088 0.902439
120 A2R 0.534653 0.896104
121 COD 0.533898 0.892857
122 4UV 0.53211 0.839506
123 7D3 0.526882 0.871795
124 LAQ 0.526786 0.833333
125 YLY 0.52459 0.891566
126 ADP BMA 0.52381 0.884615
127 NA7 0.52381 0.947368
128 GA7 0.522523 0.897436
129 AOC 0.521739 0.769231
130 YLA 0.521368 0.902439
131 NAD 0.521008 0.871795
132 ITT 0.520833 0.857143
133 ATR 0.520408 0.881579
134 PAP 0.520408 0.894737
135 ADN 0.518072 0.813333
136 XYA 0.518072 0.813333
137 RAB 0.518072 0.813333
138 4UW 0.517544 0.809524
139 AYB 0.516949 0.891566
140 5AS 0.515789 0.795455
141 IOT 0.512821 0.891566
142 A3D 0.512397 0.860759
143 AVV 0.509615 0.911392
144 MYR AMP 0.509259 0.811765
145 ARG AMP 0.508929 0.845238
146 UPA 0.508621 0.875
147 BTX 0.508333 0.857143
148 5N5 0.505882 0.813333
149 A A 0.504673 0.858974
150 TYR AMP 0.504505 0.8625
151 BT5 0.504132 0.847059
152 7D5 0.5 0.846154
153 8X1 0.5 0.788889
154 ATP A A A 0.5 0.87013
155 HFD 0.5 0.8625
156 5CD 0.5 0.753247
157 EP4 0.5 0.728395
158 A4D 0.5 0.789474
159 JB6 0.5 0.875
160 7MD 0.495575 0.925
161 DTP 0.49505 0.921053
162 3AT 0.49505 0.907895
163 EAD 0.492188 0.843373
164 TAD 0.491228 0.876543
165 P5A 0.490741 0.820225
166 VMS 0.490385 0.744444
167 54H 0.490385 0.744444
168 A3P 0.489583 0.881579
169 MTA 0.488889 0.725
170 N0B 0.488189 0.902439
171 AF3 ADP 3PG 0.487179 0.809524
172 TSB 0.485714 0.772727
173 A5A 0.485437 0.761364
174 G5A 0.485149 0.816092
175 DAT 0.484848 0.921053
176 NAE 0.484127 0.839506
177 LPA AMP 0.482759 0.811765
178 AR6 AR6 0.482456 0.858974
179 SSA 0.480769 0.816092
180 NAQ 0.480315 0.819277
181 DZD 0.479675 0.924051
182 3DH 0.478261 0.725
183 AMP DBH 0.477876 0.8375
184 DTA 0.477778 0.759494
185 M2T 0.477778 0.690476
186 P1H 0.477273 0.823529
187 GSU 0.477064 0.775281
188 DSZ 0.476636 0.795455
189 ZID 0.476562 0.860759
190 52H 0.47619 0.736264
191 PPS 0.475728 0.8
192 6AD 0.475728 0.831325
193 NJP 0.47541 0.8625
194 A2P 0.474227 0.868421
195 AHZ 0.474138 0.770115
196 3AM 0.473118 0.868421
197 5CA 0.471698 0.816092
198 53H 0.471698 0.736264
199 4TA 0.471545 0.845238
200 0WD 0.471545 0.841463
201 5X8 0.47 0.759494
202 NAJ PYZ 0.46875 0.761364
203 M24 0.464567 0.8
204 FDA 0.463235 0.827586
205 6RE 0.463158 0.777778
206 NSS 0.462963 0.795455
207 LSS 0.462963 0.758242
208 NAJ PZO 0.460317 0.797619
209 6FA 0.459854 0.857143
210 AMP NAD 0.459677 0.848101
211 FB0 0.459259 0.862069
212 NDC 0.459259 0.864198
213 NDP 0.459016 0.841463
214 NVA LMS 0.458716 0.75
215 ARU 0.458716 0.809524
216 7MC 0.458333 0.902439
217 DSH 0.458333 0.810127
218 AV2 0.457143 0.835443
219 NZQ 0.455285 0.853659
220 NDE 0.455224 0.85
221 LEU LMS 0.454545 0.75
222 IMO 0.453608 0.844156
223 A3N 0.453608 0.782051
224 J7C 0.453608 0.7875
225 SFD 0.453237 0.75
226 FAD 0.453237 0.86747
227 FAS 0.453237 0.86747
228 ZAS 0.452632 0.7625
229 V3L 0.451923 0.883117
230 ODP 0.451613 0.831325
231 KAA 0.45045 0.808989
232 GJV 0.44898 0.768293
233 S4M 0.44898 0.744186
234 FAY 0.447552 0.878049
235 NPW 0.447154 0.855422
236 2AM 0.446809 0.881579
237 9K8 0.446429 0.677083
238 RFL 0.444444 0.837209
239 MAO 0.444444 0.797619
240 TXP 0.443548 0.8875
241 YSA 0.443478 0.775281
242 DA 0.443299 0.894737
243 D5M 0.443299 0.894737
244 SAH 0.442308 0.7625
245 SFG 0.441176 0.769231
246 FNK 0.440559 0.820225
247 SMM 0.439252 0.704545
248 DDS 0.438095 0.87013
249 G A A A 0.436508 0.819277
250 A G 0.436508 0.807229
251 A7D 0.435644 0.794872
252 8PZ 0.434783 0.795455
253 EEM 0.433962 0.709302
254 U A G G 0.433071 0.807229
255 OVE 0.43299 0.848101
256 SA8 0.432692 0.746988
257 62F 0.430556 0.901235
258 A3G 0.428571 0.842105
259 GP3 0.428571 0.841463
260 Z5A 0.428571 0.795455
261 A A A 0.428571 0.921053
262 SAI 0.428571 0.753086
263 6C6 0.428571 0.897436
264 FA9 0.427632 0.879518
265 P5F 0.426667 0.818182
266 U A 0.426357 0.829268
267 WSA 0.42623 0.784091
268 5AD 0.425287 0.697368
269 XNP 0.425197 0.821429
270 G2R 0.424779 0.876543
271 SAM 0.424528 0.709302
272 6IA 0.424528 0.853659
273 7C5 0.423729 0.746988
274 7DT 0.423077 0.894737
275 9JJ 0.422819 0.811765
276 RGT 0.422414 0.873418
277 G1R 0.422018 0.829268
278 A3S 0.421569 0.828947
279 7DD 0.421569 0.894737
280 GNH 0.420561 0.829268
281 7D7 0.420455 0.74026
282 PUA 0.419847 0.876543
283 A5D 0.419048 0.759494
284 GGZ 0.418182 0.776471
285 TAP 0.41791 0.829268
286 MHZ 0.417476 0.776471
287 COA 0.416667 0.882353
288 PO4 PO4 A A A A PO4 0.415929 0.844156
289 71V 0.415842 0.829268
290 CMX 0.414815 0.882353
291 S8M 0.414414 0.777778
292 NEC 0.414141 0.74359
293 A3T 0.413462 0.792208
294 S7M 0.412844 0.709302
295 GTP 0.412844 0.839506
296 ETB 0.412214 0.848837
297 DCA 0.412214 0.882353
298 F2N 0.411765 0.829545
299 GDP 0.411215 0.839506
300 NAP 0.410448 0.860759
301 AS 0.41 0.85
302 GCP 0.409091 0.841463
303 AAT 0.407407 0.790123
304 AMX 0.407407 0.892857
305 DG1 0.407407 0.841463
306 1DG 0.407407 0.841463
307 N6P 0.40708 0.831169
308 Y3J 0.406593 0.679487
309 128 0.406504 0.714286
310 0T1 0.406015 0.882353
311 GSP 0.405405 0.8
312 4YB 0.404959 0.758242
313 CC5 0.404494 0.786667
314 SCO 0.404412 0.882353
315 NA0 0.404412 0.85
316 101 0.40404 0.894737
317 PGS 0.403846 0.807229
318 2SA 0.40367 0.897436
319 K15 0.403509 0.741176
320 G2Q 0.403509 0.876543
321 V1N 0.403361 0.858974
322 NHD 0.403101 0.848101
323 CA6 0.402878 0.78125
324 3L1 0.402174 0.84
325 3AD 0.402174 0.8
326 3D1 0.402174 0.84
327 6K6 0.401786 0.894737
328 GEK 0.401786 0.756098
329 8Q2 0.4 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QQF; Ligand: A1R; Similar sites found with APoc: 316
This union binding pocket(no: 1) in the query (biounit: 2qqf.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1HTW ADP None
2 4YKG NAD 1.2987
3 4YKG FAD 1.2987
4 1L1E SAH 1.39373
5 3FGZ BEF 1.5625
6 6DEN FAD 1.62338
7 6DEN G8A 1.62338
8 6DEN TP9 1.62338
9 2Q1S NAI 1.62338
10 3KLJ FAD 1.62338
11 1FL2 FAD 1.62338
12 5UAO FAD 1.62338
13 5ZYN FAD 1.62338
14 4L80 OXL 1.62338
15 2AOT SAH 1.71233
16 3GCZ SAM 1.77305
17 2D3N GLC GLC GLC 1.94805
18 3PT9 SAH 1.94805
19 1GTE FAD 1.94805
20 2PT9 2MH 2.18069
21 2IV2 MGD 2.27273
22 5H6S HDH 2.27273
23 2ZJ5 ADP 2.27273
24 1V59 NAD 2.27273
25 6FP4 E1T 2.27273
26 6FP4 FAD 2.27273
27 6H3O FAD 2.27273
28 2IV2 2MD 2.27273
29 1UDB NAD 2.27273
30 1UDB UFG 2.27273
31 5K0A FAD 2.27273
32 1V59 FAD 2.27273
33 1GY8 NAD 2.27273
34 3GWZ SAH 2.27273
35 3DXY SAM 2.29358
36 1E3W NAD 2.29885
37 1E6W NAD 2.30769
38 5JE8 NAD 2.31788
39 2VT3 ATP 2.32558
40 5EEH SAH 2.39362
41 5EEH P9P 2.39362
42 1UAY ADN 2.47934
43 2HNK SAH 2.51046
44 2RH4 EMO 2.52708
45 6F9Q NAD 2.57353
46 2E5V FAD 2.5974
47 1PJS NAD 2.5974
48 1X87 NAD 2.5974
49 2FK8 SAM 2.5974
50 4XQC NAD 2.5974
51 1PN0 FAD 2.5974
52 1U7T TDT 2.68199
53 3KCC CMP 2.69231
54 3S5W FAD 2.80778
55 1T9D 1MM 2.92208
56 1T9D PYD 2.92208
57 1T9D P25 2.92208
58 2C31 ADP 2.92208
59 2C31 TZD 2.92208
60 2Q28 ADP 2.92208
61 2V3V MGD 2.92208
62 3QVP FAD 2.92208
63 2HQM FAD 2.92208
64 1OC2 NAD 2.92208
65 1OC2 TDX 2.92208
66 4G5H UD7 2.92208
67 4G5H NAP 2.92208
68 3T31 FAD 2.92208
69 3T31 DCQ 2.92208
70 5WXU FLC 2.92208
71 3EF0 ALF 2.92208
72 3G5S FAD 2.92208
73 3AB1 FAD 2.92208
74 5WKC FAD 2.92208
75 2CDU FAD 2.92208
76 2NYA MGD 2.92208
77 1TDF NAP 2.92208
78 1T9D FAD 2.92208
79 2IXB A2G 2.92793
80 2IXB NAD 2.92793
81 4YAC NAI 3.0303
82 3HVJ 705 3.16742
83 5VLQ ANP 3.24675
84 1GPE FAD 3.24675
85 2JHP SAH 3.24675
86 4KIB SAH 3.24675
87 5XNC MTA 3.24675
88 5MIT NAP 3.24675
89 5MIT FAD 3.24675
90 5U8U FAD 3.24675
91 4G05 JZ3 3.24675
92 6BND OPE 3.24675
93 1XHC FAD 3.24675
94 5UFN SAH 3.36134
95 4IF4 BEF 3.36538
96 6CI9 NAP 3.4749
97 3ITJ FAD 3.5503
98 1DMR PGD 3.57143
99 1V6A TRE 3.57143
100 5BUK FAD 3.57143
101 1QO8 FAD 3.57143
102 1NSA BEN 3.57143
103 2EG5 SAH 3.57143
104 4JDR FAD 3.57143
105 3LZW NAP 3.57143
106 3LZW FAD 3.57143
107 1E3I CXF 3.57143
108 2WET FAD 3.57143
109 2XYA 7L4 3.84615
110 1BW9 NAD 3.8961
111 5BJX NAD 3.8961
112 5BJX UDP 3.8961
113 1EU1 MGD 3.8961
114 1NAA ABL 3.8961
115 1NAA 6FA 3.8961
116 4CNK FAD 3.8961
117 5O42 NAD 4.0146
118 5O42 9JW 4.0146
119 5O42 BGC 4.0146
120 3T7S SAM 4.10448
121 4YAG NAI 4.15225
122 4L2I FAD 4.18251
123 1H0H MGD 4.20561
124 4WOH 4NP 4.21687
125 3E1T FAD 4.22078
126 5O5Y GLC 4.22078
127 1REO FAD 4.22078
128 4J4H NAI 4.2471
129 4J4H 1J1 4.2471
130 1JG3 ADN 4.25532
131 1O5Q PYR 4.2623
132 3ML1 MGD 4.44444
133 4RVG SAM 4.54545
134 4RVG TYD 4.54545
135 1I2B USQ 4.54545
136 1I2B NAD 4.54545
137 1I2B UPG 4.54545
138 3LAD FAD 4.54545
139 3F8D FAD 4.54545
140 3RNM FAD 4.54545
141 2RAB NAD 4.54545
142 2UYQ SAM 4.54545
143 2RAB FAD 4.54545
144 4GKV NAD 4.54545
145 2VHW NAI 4.54545
146 1TMO 2MD 4.54545
147 4Z24 FAD 4.54545
148 2FKA BEF 4.65116
149 4D79 ATP 4.71014
150 1P77 ATR 4.77941
151 3EGI ADP 4.85437
152 4D5G TPP 4.87013
153 4D5G FAD 4.87013
154 4JNA FAD 4.87013
155 2OG2 MLI 4.87013
156 1GET NAP 4.87013
157 1GET FAD 4.87013
158 3NDJ JHZ 4.87013
159 3NDJ SAH 4.87013
160 2BRY FAD 4.87013
161 5WP5 SAH 4.87013
162 5T67 JHZ 4.87013
163 5T67 SAH 4.87013
164 3CGD FAD 4.87013
165 3CGD NAD 4.87013
166 2HIM ASN 4.87013
167 3CGD COA 4.87013
168 4MOP 2H5 4.87013
169 2NVK FAD 4.87013
170 5TWB FAD 4.87013
171 1OBB NAD 4.87013
172 3LST SAH 4.88506
173 1N2X SAM 4.98339
174 4KGD FAD 5.19481
175 4KGD TDP 5.19481
176 4TM3 FAD 5.19481
177 5KMS FAD 5.19481
178 1YBH FAD 5.19481
179 3I9U DTU 5.32319
180 4CQM NAP 5.32787
181 1JNR FAD 5.33333
182 3VC1 SAH 5.44872
183 3VC1 GST 5.44872
184 4POO SAM 5.5
185 4RDI ATP 5.51948
186 4RDH AMP 5.51948
187 5J5Z FAD 5.51948
188 1QZZ SAM 5.51948
189 2Q7V FAD 5.51948
190 1ZK7 FAD 5.51948
191 5LW0 AR6 5.51948
192 2DTX BMA 5.51948
193 1RLZ NAD 5.69106
194 1DJL NAP 5.7971
195 1L5Y BEF 5.80645
196 5FEU NAP 5.84192
197 5VN0 NAI 5.84416
198 5VN0 FAD 5.84416
199 3AYI FAD 5.84416
200 3AYI HCI 5.84416
201 2ZXI FAD 5.84416
202 4BV6 FAD 5.88235
203 3LCC SAH 5.95745
204 2VDV SAM 6.09756
205 4KFU ACP 6.13208
206 3I53 SAH 6.16883
207 1XDS SAM 6.16883
208 1LVL FAD 6.16883
209 4HA6 FAD 6.16883
210 1TE2 PGA 6.19469
211 4XUC 43G 6.42202
212 4XUC SAM 6.42202
213 3VSE SAH 6.49351
214 5DNK SAH 6.49351
215 5WGR FAD 6.49351
216 2VPY MGD 6.49351
217 5YJS SAL 6.49351
218 5JCM FAD 6.49351
219 5JCM NAD 6.49351
220 5JCM ISD 6.49351
221 1D4O NAP 6.52174
222 1L7N ALF 6.63507
223 6DNT NAD 6.68605
224 1R27 MGD 6.81818
225 4M73 M72 6.81818
226 4M73 SAH 6.81818
227 3P4X ADP 6.81818
228 1MO9 FAD 6.81818
229 1KYQ NAD 6.93431
230 1IAU ACE ILE GLU PRO ASJ 7.04846
231 1LSS NAD 7.14286
232 3EYA FAD 7.14286
233 5AB1 BCD TA5 HP6 MAN 7.33333
234 1KQF MGD 7.37327
235 1FEC FAD 7.46753
236 5FJN BE2 7.46753
237 5FJN FAD 7.46753
238 6F97 FAD 7.46753
239 4TXI FAD 7.79221
240 1UWK URO 7.79221
241 1UWK NAD 7.79221
242 2A8X FAD 7.79221
243 4M52 M52 7.79221
244 4M52 FAD 7.79221
245 2IVD FAD 7.79221
246 1Q9I FAD 7.88091
247 1Q9I TEO 7.88091
248 3AD8 NAD 7.88177
249 4YJK URA 7.93651
250 3GD4 NAD 8.02348
251 3GD4 FAD 8.02348
252 2IID PHE 8.11688
253 2IID FAD 8.11688
254 6F5Z SAH 8.19672
255 1NU4 MLA 8.24742
256 4NBU NAI 8.4
257 4O08 PO6 8.44156
258 4MIG G3F 8.44156
259 5A3B APR 8.58086
260 6FBZ MGP 8.64198
261 1COY FAD 8.76623
262 1COY AND 8.76623
263 1U3U BNF 8.76623
264 1U3U NAD 8.76623
265 2AE2 PTO 8.84615
266 2AE2 NAP 8.84615
267 6CZ7 MGD 8.97436
268 2NXE SAM 9.05512
269 4YDD MD1 9.09091
270 4YDD MGD 9.09091
271 4ZRN UPG 9.09091
272 4ZRN NAD 9.09091
273 2F5Z FAD 9.375
274 5TS5 FAD 9.41558
275 3QFA FAD 9.48276
276 1G8K MGD 10.0649
277 1H5S TMP 10.2389
278 1NM5 NAP 10.3896
279 2OOR TXP 10.3896
280 1NM5 NAD 10.3896
281 1KEW NAD 10.3896
282 5JWC FAD 10.3896
283 1EJ0 SAM 10.5556
284 1O97 FAD 10.6061
285 1O97 AMP 10.6061
286 1A0J BEN 10.7623
287 5BW4 SAM 10.8614
288 2IYF UDP 11.039
289 2PKA BEN 11.25
290 1BZL FAD 11.6883
291 1BZL GCG 11.6883
292 2FZW NAD 12.3377
293 1NE7 AGP 12.4567
294 1V5F FAD 12.6623
295 1V5F TPP 12.6623
296 2WPF WPF 12.6623
297 2WPF FAD 12.6623
298 3OZ2 FAD 12.6623
299 1FQK ALF 12.9252
300 6GAS FAD 12.987
301 1EFV AMP 13.3117
302 1EFV FAD 13.3117
303 1T32 OHH 13.3929
304 1RJW ETF 13.6364
305 1D4D FAD 14.6104
306 1QH9 LAC 15.0862
307 1R6D DAU 16.3205
308 1R6D NAD 16.3205
309 4YSX FAD 16.4894
310 1PNO NAP 17.7778
311 2GAG NAD 19.1919
312 5HSA FAS 36.3636
313 2EWM NAD 36.3636
314 1M2K APR 38.1526
315 3L9W AMP 45.4545
316 3L9W GSH 45.4545
Pocket No.: 2; Query (leader) PDB : 2QQF; Ligand: A1R; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 2qqf.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2Y6Q I7T 4.77387
3 2Y6Q FAD 4.77387
4 4ISS TAR 4.87013
5 5N0J FAD 5.84416
6 1MO9 KPC 6.81818
7 4AP3 FAD 36.3636
8 4AP3 NAP 36.3636
Pocket No.: 3; Query (leader) PDB : 2QQF; Ligand: A1R; 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: 2qqf.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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