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- BINDING NAD NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BASE 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- BINDING NAD NUCLEUS REPRESSOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BASE 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 27 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 25 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: 314
No: Ligand ECFP6 Tc MDL keys Tc
1 A1R 1 1
2 A2D 0.78481 0.907895
3 BA3 0.743902 0.907895
4 AP5 0.73494 0.907895
5 B4P 0.73494 0.907895
6 AN2 0.72619 0.896104
7 AR6 0.72093 0.907895
8 APR 0.72093 0.907895
9 ADP 0.714286 0.907895
10 ATP 0.709302 0.907895
11 AQP 0.701149 0.907895
12 5FA 0.701149 0.907895
13 M33 0.697674 0.896104
14 AGS 0.693182 0.8625
15 AD9 0.693182 0.884615
16 SAP 0.693182 0.8625
17 ACP 0.689655 0.909091
18 AMP 0.662651 0.881579
19 A 0.662651 0.881579
20 A22 0.659574 0.896104
21 ACQ 0.659341 0.909091
22 ANP 0.659341 0.884615
23 ADX 0.659091 0.821429
24 CA0 0.659091 0.884615
25 5AL 0.652174 0.871795
26 50T 0.651685 0.871795
27 ATF 0.645161 0.873418
28 PRX 0.644444 0.860759
29 ABM 0.639535 0.858974
30 SRP 0.638298 0.922078
31 3OD 0.636364 0.884615
32 OAD 0.632653 0.884615
33 ADQ 0.628866 0.909091
34 AMP MG 0.627907 0.835443
35 A12 0.625 0.922078
36 AP2 0.625 0.922078
37 8QN 0.618557 0.871795
38 SRA 0.616279 0.8375
39 4AD 0.612245 0.910256
40 AMO 0.612245 0.922078
41 PR8 0.61 0.936709
42 APC 0.608696 0.922078
43 TAT 0.606383 0.873418
44 AU1 0.604396 0.884615
45 ADP MG 0.604396 0.848101
46 BIS 0.60396 0.851852
47 G3A 0.6 0.841463
48 25L 0.598039 0.896104
49 BEF ADP 0.597826 0.82716
50 ADP BEF 0.597826 0.82716
51 PAJ 0.59596 0.853659
52 G5P 0.59434 0.841463
53 LAD 0.594059 0.924051
54 AP0 0.590909 0.841463
55 00A 0.59 0.829268
56 AHX 0.59 0.911392
57 ME8 0.588235 0.833333
58 NB8 0.588235 0.8875
59 DND 0.587156 0.873418
60 NXX 0.587156 0.873418
61 NAI 0.587156 0.851852
62 25A 0.585859 0.883117
63 5SV 0.585859 0.841463
64 OOB 0.585859 0.871795
65 RBY 0.585106 0.922078
66 ADP PO3 0.585106 0.881579
67 ADV 0.585106 0.922078
68 TXE 0.581818 0.898734
69 ATP MG 0.578947 0.848101
70 WAQ 0.578431 0.898734
71 ADP ALF 0.57732 0.817073
72 ALF ADP 0.57732 0.817073
73 MAP 0.575758 0.8625
74 ADJ 0.575221 0.890244
75 DLL 0.574257 0.871795
76 GTA 0.574074 0.811765
77 PTJ 0.572816 0.819277
78 FYA 0.572816 0.921053
79 NAX 0.572727 0.865854
80 TXD 0.572727 0.898734
81 6V0 0.572727 0.864198
82 FA5 0.571429 0.897436
83 YAP 0.571429 0.886076
84 3UK 0.568627 0.860759
85 AFH 0.564815 0.876543
86 48N 0.563636 0.864198
87 9SN 0.561905 0.819277
88 T5A 0.561404 0.879518
89 SON 0.55914 0.897436
90 UP5 0.558559 0.8625
91 1ZZ 0.557692 0.833333
92 TXA 0.557692 0.873418
93 A4P 0.557522 0.837209
94 GAP 0.556701 0.884615
95 CNA 0.556522 0.897436
96 VO4 ADP 0.555556 0.871795
97 ADP VO4 0.555556 0.871795
98 ANP MG 0.555556 0.839506
99 OMR 0.553571 0.845238
100 XAH 0.551402 0.901235
101 YLP 0.54955 0.902439
102 139 0.547826 0.9125
103 DAL AMP 0.544554 0.848101
104 2A5 0.541667 0.909091
105 TYM 0.539823 0.897436
106 7D4 0.536842 0.871795
107 4UU 0.536364 0.839506
108 4TC 0.535088 0.864198
109 YLC 0.535088 0.901235
110 YLB 0.535088 0.902439
111 A2R 0.534653 0.896104
112 COD 0.533898 0.892857
113 4UV 0.53211 0.839506
114 7D3 0.526882 0.871795
115 LAQ 0.526786 0.833333
116 YLY 0.52459 0.891566
117 ADP BMA 0.52381 0.884615
118 NA7 0.52381 0.947368
119 AOC 0.521739 0.769231
120 YLA 0.521368 0.902439
121 NAD 0.521008 0.871795
122 ITT 0.520833 0.857143
123 PAP 0.520408 0.894737
124 ATR 0.520408 0.881579
125 RAB 0.518072 0.813333
126 XYA 0.518072 0.813333
127 ADN 0.518072 0.813333
128 4UW 0.517544 0.809524
129 AYB 0.516949 0.891566
130 5AS 0.515789 0.795455
131 IOT 0.512821 0.891566
132 A3D 0.512397 0.860759
133 AVV 0.509615 0.911392
134 MYR AMP 0.509259 0.811765
135 UPA 0.508621 0.875
136 BTX 0.508333 0.857143
137 5N5 0.505882 0.813333
138 A A 0.504673 0.858974
139 BT5 0.504132 0.847059
140 A4D 0.5 0.789474
141 7D5 0.5 0.846154
142 JB6 0.5 0.875
143 5CD 0.5 0.753247
144 ATP A A A 0.5 0.87013
145 EP4 0.5 0.728395
146 7MD 0.495575 0.925
147 TYR AMP 0.495495 0.85
148 3AT 0.49505 0.907895
149 DTP 0.49505 0.921053
150 EAD 0.492188 0.843373
151 TAD 0.491228 0.876543
152 P5A 0.490741 0.820225
153 54H 0.490385 0.744444
154 VMS 0.490385 0.744444
155 A3P 0.489583 0.881579
156 MTA 0.488889 0.725
157 N0B 0.488189 0.902439
158 AF3 ADP 3PG 0.487179 0.809524
159 ARG AMP 0.486957 0.845238
160 TSB 0.485714 0.772727
161 A5A 0.485437 0.761364
162 G5A 0.485149 0.816092
163 DAT 0.484848 0.921053
164 NAE 0.484127 0.839506
165 LPA AMP 0.482759 0.811765
166 AR6 AR6 0.482456 0.858974
167 SSA 0.480769 0.816092
168 NAQ 0.480315 0.819277
169 DZD 0.479675 0.924051
170 3DH 0.478261 0.725
171 AMP DBH 0.477876 0.8375
172 M2T 0.477778 0.690476
173 DTA 0.477778 0.759494
174 P1H 0.477273 0.823529
175 GSU 0.477064 0.775281
176 DSZ 0.476636 0.795455
177 ZID 0.476562 0.860759
178 52H 0.47619 0.736264
179 PPS 0.475728 0.8
180 6AD 0.475728 0.831325
181 NJP 0.47541 0.8625
182 ALF ADP 3PG 0.474576 0.809524
183 LA8 ALF 3PG 0.474576 0.809524
184 A2P 0.474227 0.868421
185 AHZ 0.474138 0.770115
186 3AM 0.473118 0.868421
187 5CA 0.471698 0.816092
188 53H 0.471698 0.736264
189 4TA 0.471545 0.845238
190 0WD 0.471545 0.841463
191 5X8 0.47 0.759494
192 M24 0.464567 0.8
193 NAD IBO 0.463415 0.817073
194 FDA 0.463235 0.827586
195 6RE 0.463158 0.777778
196 NSS 0.462963 0.795455
197 LSS 0.462963 0.758242
198 NAJ PZO 0.460317 0.797619
199 6FA 0.459854 0.857143
200 FB0 0.459259 0.862069
201 NDC 0.459259 0.864198
202 NDP 0.459016 0.841463
203 ARU 0.458716 0.809524
204 DSH 0.458333 0.810127
205 7MC 0.458333 0.902439
206 AV2 0.457143 0.835443
207 NZQ 0.455285 0.853659
208 NDE 0.455224 0.85
209 A3N 0.453608 0.782051
210 J7C 0.453608 0.7875
211 IMO 0.453608 0.844156
212 FAD 0.453237 0.86747
213 FAS 0.453237 0.86747
214 SFD 0.453237 0.75
215 ZAS 0.452632 0.7625
216 V3L 0.451923 0.883117
217 ODP 0.451613 0.831325
218 KAA 0.45045 0.808989
219 GJV 0.44898 0.768293
220 S4M 0.44898 0.744186
221 FAY 0.447552 0.878049
222 NPW 0.447154 0.855422
223 2AM 0.446809 0.881579
224 NAJ PYZ 0.446154 0.8
225 NVA LMS 0.445455 0.73913
226 MAO 0.444444 0.797619
227 RFL 0.444444 0.837209
228 TXP 0.443548 0.8875
229 YSA 0.443478 0.775281
230 D5M 0.443299 0.894737
231 DA 0.443299 0.894737
232 SAH 0.442308 0.7625
233 LEU LMS 0.441441 0.73913
234 SFG 0.441176 0.769231
235 FNK 0.440559 0.820225
236 SMM 0.439252 0.704545
237 DDS 0.438095 0.87013
238 G A A A 0.436508 0.819277
239 A7D 0.435644 0.794872
240 EEM 0.433962 0.709302
241 U A G G 0.433071 0.807229
242 OVE 0.43299 0.848101
243 SA8 0.432692 0.746988
244 AMP NAD 0.431818 0.82716
245 62F 0.430556 0.901235
246 A3G 0.428571 0.842105
247 A A A 0.428571 0.921053
248 GP3 0.428571 0.841463
249 6C6 0.428571 0.897436
250 SAI 0.428571 0.753086
251 Z5A 0.428571 0.795455
252 FA9 0.427632 0.879518
253 P5F 0.426667 0.818182
254 WSA 0.42623 0.784091
255 5AD 0.425287 0.697368
256 XNP 0.425197 0.821429
257 G2R 0.424779 0.876543
258 6IA 0.424528 0.853659
259 SAM 0.424528 0.709302
260 7C5 0.423729 0.746988
261 7DT 0.423077 0.894737
262 RGT 0.422414 0.873418
263 G1R 0.422018 0.829268
264 7DD 0.421569 0.894737
265 A3S 0.421569 0.828947
266 GNH 0.420561 0.829268
267 7D7 0.420455 0.74026
268 PUA 0.419847 0.876543
269 A5D 0.419048 0.759494
270 GGZ 0.418182 0.776471
271 TAP 0.41791 0.829268
272 MHZ 0.417476 0.776471
273 COA 0.416667 0.882353
274 PO4 PO4 A A A A PO4 0.415929 0.844156
275 71V 0.415842 0.829268
276 CMX 0.414815 0.882353
277 S8M 0.414414 0.777778
278 NEC 0.414141 0.74359
279 A3T 0.413462 0.792208
280 S7M 0.412844 0.709302
281 GTP 0.412844 0.839506
282 DCA 0.412214 0.882353
283 ETB 0.412214 0.848837
284 F2N 0.411765 0.829545
285 GDP 0.411215 0.839506
286 NAP 0.410448 0.860759
287 AS 0.41 0.85
288 GCP 0.409091 0.841463
289 AMX 0.407407 0.892857
290 AAT 0.407407 0.790123
291 DG1 0.407407 0.841463
292 1DG 0.407407 0.841463
293 N6P 0.40708 0.831169
294 Y3J 0.406593 0.679487
295 128 0.406504 0.714286
296 0T1 0.406015 0.882353
297 GSP 0.405405 0.8
298 4YB 0.404959 0.758242
299 CC5 0.404494 0.786667
300 SCO 0.404412 0.882353
301 NA0 0.404412 0.85
302 101 0.40404 0.894737
303 PGS 0.403846 0.807229
304 2SA 0.40367 0.897436
305 K15 0.403509 0.741176
306 G2Q 0.403509 0.876543
307 V1N 0.403361 0.858974
308 NHD 0.403101 0.848101
309 CA6 0.402878 0.78125
310 3AD 0.402174 0.8
311 3D1 0.402174 0.84
312 3L1 0.402174 0.84
313 6K6 0.401786 0.894737
314 GEK 0.401786 0.756098
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QQF; Ligand: A1R; Similar sites found: 87
This union binding pocket(no: 1) in the query (biounit: 2qqf.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.02772 0.40778 None
2 1L1E SAH 0.004291 0.41968 1.39373
3 3FGZ BEF 0.01681 0.41382 1.5625
4 2AOT SAH 0.01412 0.40312 1.71233
5 3GCZ SAM 0.01036 0.40264 1.77305
6 3PT9 SAH 0.007241 0.40957 1.94805
7 1N4W FAD 0.009205 0.407 1.94805
8 5H6S HDH 0.0112 0.43337 2.27273
9 1V59 NAD 0.008439 0.42121 2.27273
10 3GWZ SAH 0.0147 0.40231 2.27273
11 3DXY SAM 0.01003 0.41757 2.29358
12 5JE8 NAD 0.003729 0.40915 2.31788
13 2VT3 ATP 0.0224 0.40052 2.32558
14 2E5V FAD 0.009561 0.4063 2.5974
15 1X87 NAD 0.004408 0.40617 2.5974
16 2FK8 SAM 0.006866 0.40416 2.5974
17 2V3V MGD 0.002712 0.44863 2.92208
18 2C31 ADP 0.03178 0.42497 2.92208
19 2C31 TZD 0.03256 0.42497 2.92208
20 3EF0 ALF 0.03855 0.4082 2.92208
21 4G05 JZ3 0.01744 0.40975 3.24675
22 4IF4 BEF 0.003247 0.45406 3.36538
23 1QO8 FAD 0.00608 0.41372 3.57143
24 5BUK FAD 0.008245 0.40993 3.57143
25 1NSA BEN 0.04091 0.40903 3.57143
26 2EG5 SAH 0.01358 0.40742 3.57143
27 1EU1 MGD 0.003134 0.42068 3.8961
28 3T7S SAM 0.007735 0.4083 4.10448
29 4J4H 1J1 0.01199 0.40467 4.2471
30 4J4H NAI 0.01199 0.40467 4.2471
31 1JG3 ADN 0.0101 0.40314 4.25532
32 2UYQ SAM 0.02084 0.4159 4.54545
33 2FKA BEF 0.001326 0.48892 4.65116
34 4D79 ATP 0.007044 0.41011 4.71014
35 1P77 ATR 0.01815 0.41714 4.77941
36 3EGI ADP 0.004116 0.45095 4.85437
37 1GET NAP 0.007511 0.42694 4.87013
38 1GET FAD 0.007882 0.42478 4.87013
39 3CGD COA 0.02337 0.40902 4.87013
40 3CGD FAD 0.02337 0.40902 4.87013
41 3CGD NAD 0.02337 0.40902 4.87013
42 5UDS ATP 0.0259 0.40104 4.8951
43 1N2X SAM 0.003536 0.4101 4.98339
44 4TM3 FAD 0.01951 0.40831 5.19481
45 3I9U DTU 0.01433 0.41484 5.32319
46 1JNR FAD 0.01412 0.41743 5.33333
47 3VC1 SAH 0.004103 0.41052 5.44872
48 4RDH AMP 0.005231 0.42317 5.51948
49 1QZZ SAM 0.007238 0.42043 5.51948
50 4RDI ATP 0.00551 0.41485 5.51948
51 5LW0 AR6 0.002842 0.41092 5.51948
52 1DJL NAP 0.0003842 0.40695 5.7971
53 1L5Y BEF 0.007881 0.42188 5.80645
54 2VDV SAM 0.01152 0.41083 6.09756
55 1XDS SAM 0.005261 0.42701 6.16883
56 1TE2 PGA 0.03186 0.4051 6.19469
57 3VSE SAH 0.001076 0.46462 6.49351
58 1D4O NAP 0.0005815 0.42972 6.52174
59 1L7N ALF 0.004849 0.44943 6.63507
60 1KYQ NAD 0.003993 0.42475 6.93431
61 1IAU ACE ILE GLU PRO ASJ 0.009511 0.41111 7.04846
62 1LSS NAD 0.00211 0.42603 7.14286
63 3EYA FAD 0.00009828 0.41824 7.14286
64 5AB1 BCD TA5 HP6 MAN 0.03287 0.40705 7.33333
65 1FEC FAD 0.004678 0.42219 7.46753
66 5FJN FAD 0.004497 0.41926 7.46753
67 5FJN BE2 0.005486 0.41836 7.46753
68 4YJK URA 0.01666 0.42458 7.93651
69 1NU4 MLA 0.007839 0.46571 8.24742
70 4MIG G3F 0.01511 0.40195 8.44156
71 5A3B APR 0.000000197 0.56265 8.58086
72 2NXE SAM 0.003364 0.42438 9.05512
73 3EGV SAH 0.01064 0.4054 9.05512
74 2F5Z FAD 0.006021 0.41483 9.375
75 2OOR TXP 0.0004575 0.42838 10.3896
76 1EJ0 SAM 0.005933 0.41342 10.5556
77 5BW4 SAM 0.007061 0.41351 10.8614
78 2IYF UDP 0.02743 0.4036 11.039
79 2PKA BEN 0.03274 0.40455 11.25
80 1V5F TPP 0.02537 0.45195 12.6623
81 1V5F FAD 0.02537 0.45195 12.6623
82 2WPF FAD 0.01308 0.42677 12.6623
83 2WPF WPF 0.01668 0.42186 12.6623
84 1FQK ALF 0.03373 0.40298 12.9252
85 1T32 OHH 0.009474 0.41119 13.3929
86 1PNO NAP 0.0005656 0.41512 17.7778
87 1M2K APR 0.0000000008274 0.64147 38.1526
Pocket No.: 2; Query (leader) PDB : 2QQF; Ligand: A1R; Similar sites found: 328
This union binding pocket(no: 2) in the query (biounit: 2qqf.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.004821 0.4758 None
2 3WUD GLC GAL 0.00386 0.45425 None
3 1UO4 PIH 0.008896 0.45163 None
4 1C1L GAL BGC 0.01011 0.42712 None
5 3PMD 11A 0.00259 0.42566 None
6 4Q3F TLA 0.01173 0.41828 None
7 2E1A MSE 0.005547 0.41702 None
8 3F8C HT1 0.01492 0.40832 None
9 1LNX URI 0.01649 0.40168 None
10 2NCD ADP 0.002561 0.44228 1.2987
11 4B16 NAG 0.006026 0.46073 1.50376
12 3RKR NAP 0.00622 0.41033 1.52672
13 4BCS BTN 0.004912 0.40181 1.6
14 4WBD CIT 0.002377 0.46464 1.62338
15 3L6R MLI 0.001873 0.46196 1.62338
16 3O2K QRP 0.002328 0.42753 1.62338
17 1NML CIT 0.004755 0.4249 1.62338
18 4WBD ADP 0.0113 0.42482 1.62338
19 2EJU SAH 0.001841 0.40936 1.62338
20 1UJ5 5RP 0.008178 0.40133 1.76211
21 1Q6O LG6 0.004702 0.40251 1.85185
22 2DT5 NAD 0.00007314 0.41126 1.89573
23 3W8S GSH 0.01287 0.41117 1.94175
24 4RJK PYR 0.01904 0.4421 1.94805
25 1SQ5 PAU 0.004327 0.42666 1.94805
26 2RCN GDP 0.003477 0.42051 1.94805
27 1SQ5 ADP 0.003749 0.41459 1.94805
28 1F3L SAH 0.0005887 0.41446 1.94805
29 3GE7 AFQ 0.00003937 0.40683 1.94805
30 3GJB AKG 0.01181 0.40337 1.94805
31 2P69 PLP 0.001337 0.45478 1.96078
32 3CEV ARG 0.006047 0.41547 2.00669
33 4COQ SAN 0.004628 0.43684 2.02429
34 1AUA BOG 0.01114 0.40903 2.02703
35 1L3I SAH 0.0001276 0.41968 2.08333
36 2JL1 NAP 0.0004904 0.41702 2.09059
37 4AF5 CIT 0.002538 0.4488 2.10526
38 2PT9 2MH 0.001373 0.40408 2.18069
39 1EYQ NAR 0.01127 0.4042 2.25225
40 1Z42 HBA 0.004228 0.48512 2.27273
41 1PX8 XYP 0.001241 0.45622 2.27273
42 4LHM AZZ 0.004602 0.43101 2.27273
43 1Z44 NPO 0.03357 0.42808 2.27273
44 1HDG NAD 0.0001529 0.4213 2.27273
45 1PEA ACM 0.01968 0.4192 2.27273
46 2P4Q FLC 0.01325 0.41584 2.27273
47 1GPJ CIT 0.01452 0.41402 2.27273
48 2OKK ABU 0.02717 0.41221 2.27273
49 2VAR KDF 0.004408 0.41184 2.27273
50 2QV7 ADP 0.003536 0.40709 2.27273
51 3FPZ AHZ 0.01111 0.40449 2.27273
52 2ZJ5 ADP 0.01837 0.4043 2.27273
53 4ME6 ADP 0.01857 0.40408 2.27273
54 4IHQ ADP 0.01362 0.40078 2.27273
55 2HXT EHM 0.006947 0.40007 2.27273
56 4JEJ 1GP 0.006775 0.40453 2.45902
57 1UAY ADN 0.001092 0.43058 2.47934
58 3KMT SAH 0.003069 0.41356 2.52101
59 1JN2 SFP 0.002063 0.48702 2.53165
60 2BZ1 TAU 0.01737 0.44436 2.55102
61 1VQ2 DDN 0.00303 0.40558 2.59067
62 4KOA NDP 0.0002579 0.444 2.5974
63 1DXY COI 0.0191 0.4264 2.5974
64 3BRE C2E 0.01376 0.41508 2.5974
65 4C2G ALA ALA ALA ALA 0.006445 0.41431 2.5974
66 1QR0 COA 0.006516 0.40952 2.63158
67 2CW6 3HG 0.01054 0.43975 2.68456
68 3B1F NAD 0.0002217 0.42819 2.75862
69 2Q37 3AL 0.01068 0.41478 2.76243
70 1LYX PGA 0.005989 0.40252 2.82258
71 4KGM ATP 0.006581 0.40503 2.85714
72 2BES RES 0.003479 0.41586 2.90698
73 1UXG NAD 0.0006879 0.41853 2.91262
74 1UXG FUM 0.0006879 0.41853 2.91262
75 2Q28 ADP 0.00000007346 0.55532 2.92208
76 1KYZ SAH 0.0003535 0.43441 2.92208
77 1RYD GLC 0.009743 0.42199 2.92208
78 4O8A 2OP 0.02908 0.41692 2.92208
79 2PUL ACP 0.002807 0.41079 2.92208
80 1VJT NAD 0.001792 0.40595 2.92208
81 1YHM AHD 0.01727 0.40548 2.92208
82 3B20 NAD 0.0003165 0.41179 2.94985
83 1XE7 GUN 0.002608 0.47097 2.95567
84 1RM4 NDP 0.0003036 0.40788 2.96736
85 1UF5 CDT 0.001139 0.44002 2.9703
86 1QO0 BMD 0.01398 0.41477 3.06122
87 3I7S PYR 0.008908 0.43629 3.08219
88 2VMD MBG 0.005205 0.45554 3.11284
89 1B74 DGN 0.007827 0.43907 3.14961
90 4E13 NAD 0.000714 0.41557 3.18021
91 2ZWS PLM 0.001995 0.49736 3.24675
92 9LDB OXM 0.007342 0.45612 3.24675
93 9LDT OXM 0.01477 0.43976 3.24675
94 3QV9 QV7 0.004232 0.43262 3.24675
95 3GTD MLI 0.01249 0.41176 3.24675
96 1Y42 TYR 0.01323 0.40581 3.24675
97 4E28 0MZ 0.01939 0.40324 3.24675
98 1NNS ASP 0.009953 0.40209 3.24675
99 1SS4 CIT 0.0004975 0.56326 3.26797
100 1SS4 GSH 0.001414 0.50899 3.26797
101 4JLV ADP 0.01234 0.44822 3.34572
102 2EB5 OXL 0.003607 0.4418 3.37079
103 2FR6 URI 0.002542 0.40445 3.42466
104 1HQL GLA MBG 0.0006139 0.48496 3.50195
105 2WGC SIA GAL BGC 0.01354 0.45049 3.50877
106 2BOI MFU 0.003188 0.43235 3.53982
107 4M51 BEZ 0.002793 0.46118 3.57143
108 1V6A TRE 0.001217 0.45659 3.57143
109 2IZ1 ATR 0.003128 0.44464 3.57143
110 4OB6 S2T 0.002938 0.41006 3.57143
111 1R5A GTS 0.003887 0.42344 3.66972
112 2QLX RM4 0.02818 0.40582 3.7037
113 1JAC AMG 0.008717 0.4521 3.7594
114 1HFA PIO 0.000697 0.54763 3.80623
115 3F81 STT 0.0008324 0.49645 3.82514
116 1XX4 BAM 0.00428 0.45991 3.83142
117 1Y13 BIO 0.0104 0.40132 3.8674
118 1ZED PNP 0.0009639 0.47566 3.8961
119 1I0Z OXM 0.003829 0.46239 3.8961
120 2XVE FAD 0.0002902 0.45131 3.8961
121 3CQ5 PMP 0.004711 0.41997 3.8961
122 3JQ3 ADP 0.0041 0.41763 3.8961
123 1WRA PC 0.03275 0.40267 3.8961
124 2QCX PF1 0.02012 0.40252 3.8961
125 3IB9 BTN 0.04155 0.40025 3.8961
126 1G8S MET 0.003355 0.44324 3.91304
127 1VE3 SAM 0.00161 0.40753 3.96476
128 1QDS PGA 0.004039 0.41789 3.98406
129 1ULE GLA GAL NAG 0.01303 0.4281 4
130 4EXO PYR 0.01468 0.42553 4.10959
131 1W3R PYR 0.01428 0.42613 4.16667
132 1Y9Q MED 0.009671 0.42214 4.16667
133 1I1Q TRP 0.006144 0.41518 4.16667
134 2V5K OXM 0.007218 0.40556 4.18118
135 1ZGA SAH 0.001414 0.42633 4.20168
136 4USS GSH 0.0006603 0.46163 4.22078
137 4CIB 7UZ 0.001249 0.45608 4.22078
138 3P7I P7I 0.001826 0.44272 4.22078
139 1GAD NAD 0.00004973 0.43788 4.22078
140 1Z45 GAL 0.003762 0.42926 4.22078
141 1GJW GLC 0.01616 0.4174 4.22078
142 1WTC ACP 0.02327 0.40981 4.22078
143 2DVZ GLU 0.01016 0.40174 4.22078
144 4JK3 NAD 0.0002079 0.40374 4.2471
145 4F2Q QUS 0.004796 0.40619 4.26357
146 3BHO B4P 0.04287 0.41461 4.32692
147 2DWU DGL 0.00922 0.40784 4.34783
148 1A8S PPI 0.008061 0.40365 4.3956
149 3RGG AIR 0.0004497 0.45625 4.40252
150 2Q1A 2KT 0.0008854 0.46975 4.43686
151 1RZM E4P 0.0001951 0.50859 4.54545
152 4M5P MLA 0.002554 0.48076 4.54545
153 4M37 SAH 0.0000895 0.45027 4.54545
154 1RZM PEP 0.001844 0.44253 4.54545
155 4N7C AEF 0.007049 0.43459 4.54545
156 2CE7 ADP 0.001117 0.43022 4.54545
157 4A6D SAM 0.0003538 0.42995 4.54545
158 1I2B UPG 0.001424 0.4227 4.54545
159 1I2B USQ 0.001424 0.4227 4.54545
160 1I2B NAD 0.001424 0.4227 4.54545
161 1O0S NAI 0.000697 0.40841 4.54545
162 3A2Y TS5 0.002977 0.40586 4.56853
163 2X2T GAL NGA 0.003302 0.4657 4.57516
164 1H8P PC 0.004642 0.45809 4.58716
165 2Q3M MLA 0.0004945 0.50806 4.60123
166 3UDG TMP 0.009512 0.44205 4.65116
167 1MZV AMP 0.01044 0.40125 4.68085
168 2JFV FLC 0.009715 0.42204 4.811
169 3A2Q ACA ACA 0.002451 0.40889 4.86815
170 3SQG COM 0.0004935 0.51906 4.87013
171 3A1I UNU 0.0004314 0.45697 4.87013
172 4LO6 SIA GAL 0.003289 0.45392 4.87013
173 3ZGE ASP 0.00498 0.44878 4.87013
174 4ISS TAR 0.02715 0.43389 4.87013
175 3U1T MLI 0.008689 0.43026 4.87013
176 3LST SAH 0.00003912 0.48543 4.88506
177 2XI7 XI7 0.0009645 0.51511 4.8913
178 3B9Q MLI 0.02211 0.40686 4.96689
179 1RYI GOA 0.007999 0.46463 4.97382
180 2XRH NIO 0.001473 0.46692 5
181 4JWX 1N4 0.001919 0.44179 5
182 2FOI JPA 0.002653 0.42524 5
183 2OWZ CIT 0.001009 0.46716 5.19481
184 1H16 DTL 0.003574 0.46394 5.19481
185 1YBH FAD 0.0000003268 0.42936 5.19481
186 2Q09 DI6 0.003243 0.42671 5.19481
187 1YBH P22 0.002741 0.42467 5.19481
188 1YOE RIB 0.004783 0.4197 5.19481
189 4WVH ASP HIS ASP ALA HIS ALA 0.008249 0.40985 5.19481
190 2GWD GLU 0.008674 0.40895 5.19481
191 1H16 PYR 0.03783 0.40501 5.19481
192 1CBF SAH 0.004813 0.40214 5.19481
193 2Q8M AMP 0.008045 0.40161 5.19481
194 2H6B 3C4 0.003122 0.41107 5.2
195 1Y7P RIP 0.00297 0.45987 5.38117
196 1NXJ GLV 0.001465 0.44103 5.46448
197 3IHB TRS 0.0005245 0.53474 5.51948
198 1KC7 PPR 0.002618 0.45504 5.51948
199 2JBH 5GP 0.0008124 0.45165 5.51948
200 3IHB GLU 0.01132 0.42479 5.51948
201 3LM9 ADP 0.004198 0.41267 5.51948
202 2P41 SAH 0.00004086 0.46716 5.57377
203 2DTJ THR 0.009791 0.40238 5.61798
204 2YD6 FLC 0.000005423 0.6763 5.66038
205 2WMO GTP 0.00139 0.42662 5.78947
206 3PMA SCR 0.003967 0.42828 5.79151
207 4A6F SEP 0.0299 0.42315 5.83333
208 2C5S AMP 0.006832 0.41326 5.84416
209 3PNA CMP 0.007651 0.41121 5.84416
210 3CKJ CIT 0.0002362 0.41106 5.84416
211 4G28 0W8 0.00974 0.40685 6.04027
212 3SCH TB6 0.004446 0.43763 6.06061
213 1ZZ7 S0H 0.01025 0.41058 6.06061
214 2JGS BTN 0.01376 0.40743 6.15385
215 3SIX GDP 0.001696 0.42805 6.16883
216 4HA6 PXM 0.01035 0.41539 6.16883
217 3TFC PEP 0.0105 0.41014 6.16883
218 2FEQ 34P 0.0005583 0.43196 6.17761
219 1O0D 163 0.0009 0.42452 6.17761
220 2A2X NA9 0.001371 0.41384 6.17761
221 1YOA FMN 0.03049 0.43046 6.28931
222 3QDY A2G GAL 0.0002647 0.51166 6.29371
223 3QDT A2G GAL 0.0004492 0.50033 6.29371
224 3QDW A2G 0.002506 0.47187 6.29371
225 3QDW NDG 0.006021 0.43785 6.29371
226 3QDY CBS 0.009069 0.42938 6.29371
227 2OFE NAG 0.00261 0.44824 6.33803
228 2OFD NGA 0.01374 0.41511 6.33803
229 3LTW HLZ 0.0007853 0.47213 6.42857
230 1I36 NAP 0.000614 0.41015 6.43939
231 2VQ5 HBA 0.004577 0.44351 6.46766
232 2F2U M77 0.001608 0.43399 6.49351
233 3Q9T FAY 0.0009856 0.4135 6.49351
234 1R18 SAH 0.0005488 0.41544 6.60793
235 3S9K CIT 0.03373 0.41193 6.77966
236 2YVF FAD 0.0002115 0.45525 6.81818
237 2YVF NAD 0.0002233 0.45525 6.81818
238 3FKQ ATP 0.002041 0.41175 6.81818
239 1FIQ SAL 0.0006035 0.41264 6.84932
240 1MXI SAH 0.00275 0.40326 6.875
241 2V5E SCR 0.001881 0.48789 6.93069
242 3L24 GOA 0.003798 0.46258 7.14286
243 3M6W SAM 0.0005347 0.43737 7.14286
244 4LIT AKG 0.003611 0.43568 7.14286
245 1C3V PDC 0.005545 0.42742 7.14286
246 2W8Q SIN 0.01091 0.42556 7.14286
247 2ZJF BSU 0.007688 0.40662 7.14286
248 1QB7 ADE 0.004212 0.41716 7.20339
249 3O03 NAP 0.005917 0.40306 7.2165
250 1E7S NAP 0.0007086 0.41046 7.46753
251 3GF2 SAL 0.002799 0.46114 7.53425
252 1B5E DCM 0.006329 0.41464 7.72358
253 4JCA CIT 0.0005272 0.51752 7.78443
254 1P9B HDA 0.0006152 0.46969 7.79221
255 3UWB BB2 0.02259 0.40514 7.79221
256 4FGC PQ0 0.00623 0.42518 7.87879
257 2ZE3 AKG 0.00165 0.45073 8
258 1DSS NAD 0.0006203 0.403 8.11688
259 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002516 0.40251 8.11688
260 2O66 FLC 0.001798 0.44909 8.14815
261 1Y1A GSH 0.01651 0.45018 8.19672
262 3WCS MAN NAG GAL 0.006951 0.40839 8.66142
263 3WCS MAN NAG 0.01523 0.40317 8.66142
264 3H9E NAD 0.00009506 0.4229 8.76623
265 1A5V Y3 0.005186 0.42871 8.86076
266 1PFK FBP 0.01011 0.40181 9.0625
267 4F4S EFO 0.000324 0.47486 9.21053
268 3R51 MMA 0.001614 0.48168 9.375
269 3TKA CTN 0.005128 0.47976 9.41558
270 1H8G CHT 0.02234 0.43816 9.47368
271 3RF4 FUN 0.006955 0.41782 9.48276
272 3CF6 SP1 0.002927 0.41012 9.58084
273 3CH5 GDP 0.004361 0.41202 9.61539
274 1AX2 NDG GAL 0.01661 0.40155 9.62343
275 1ZJ6 G3D 0.001194 0.434 9.62567
276 1H0C AOA 0.02345 0.40965 9.74026
277 3HRD NIO 0.03909 0.41359 10
278 3MD0 GDP 0.002352 0.4325 10.0649
279 4HZO COA 0.005519 0.42213 10.0649
280 4G4S LDZ 0.003418 0.4037 10.101
281 5DRN 5CT 0.04894 0.40817 10.2326
282 3CBG FER 0.01026 0.44035 10.3448
283 3CBG SAH 0.003583 0.40296 10.3448
284 2HW1 FRU 0.01582 0.40719 10.4027
285 4LFL TG6 0.007604 0.40681 10.4938
286 1CKN GTP 0.00218 0.43387 10.7143
287 1WDA BAG 0.007244 0.4122 10.7143
288 3H86 AP5 0.004806 0.40351 10.9375
289 1QD0 RR6 0.007835 0.40206 10.9375
290 4B9E FAH 0.003817 0.44726 10.9635
291 1WHT BZS 0.002324 0.45055 11.3281
292 1SC3 MLI 0.004261 0.45213 11.3636
293 1XX6 ADP 0.001532 0.43484 11.5183
294 1T0S BML 0.03302 0.40798 11.6279
295 4NAO AKG 0.02217 0.41082 11.6564
296 3P3N AKG 0.01367 0.41522 11.6883
297 2XUM OGA 0.01635 0.41163 11.6883
298 2Y7P SAL 0.005868 0.42098 11.9266
299 2ALG DAO 0.01912 0.40352 11.9565
300 4P9Z NMI PTR 02K ASN NH2 0.01508 0.40336 11.9658
301 2R00 OEG 0.00992 0.42752 12.3377
302 1NYT NAP 0.0003568 0.41023 12.3377
303 4NPT 017 0.006947 0.4084 13.1313
304 2YIV YIV 0.006751 0.44225 13.3117
305 2YIV NBN 0.009764 0.42785 13.3117
306 4F8L GAL 0.001384 0.50629 13.7931
307 1Y2W NAG 0.00186 0.45498 14.0845
308 4CCO OGA 0.001977 0.44124 15
309 1QH9 LAC 0.00295 0.4458 15.0862
310 1PTR PRB 0.0008627 0.47794 16
311 3GM5 CIT 0.02462 0.40341 16.3522
312 3UEC ALA ARG TPO LYS 0.01713 0.41619 17.1233
313 1H2M OGA 0.01892 0.40871 17.3077
314 2XDQ MGX 0.005689 0.45355 17.8571
315 1NF8 BOG 0.01189 0.42377 18.8406
316 2YLD CMO 0.0207 0.4069 18.8976
317 2WCI GSH 0.01957 0.40307 19.2593
318 4AIG FLX 0.01033 0.40143 19.9005
319 1Y75 NAG 0.006366 0.41454 20.339
320 4K7O EKZ 0.002003 0.46057 21.4286
321 1BTN I3P 0.009287 0.46735 21.6981
322 4CCN OGA 0.003279 0.4437 25.7143
323 1UW1 ADP 0.002 0.44704 27.5
324 1OGD RIP 0.001851 0.44246 29.771
325 3W54 RNB 0.003745 0.41027 36.3636
326 1O9U ADZ 0.004211 0.46027 44.4444
327 1FP2 SAH 0.0001555 0.4627 45.4545
328 3KYF 5GP 5GP 0.008467 0.40493 45.4545
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