Receptor
PDB id Resolution Class Description Source Keywords
4D9H 1.91 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF THE HEXAMERIC PURINE NUCLEOSIDE PHOSPHO FROM BACILLUS SUBTILIS IN COMPLEX WITH ADENOSINE BACILLUS SUBTILIS PHOSPHORYLASE/HYDROLASE-LIKE TRANSFERASE
Ref.: INSIGHTS INTO PHOSPHATE COOPERATIVITY AND INFLUENCE SUBSTRATE MODIFICATIONS ON BINDING AND CATALYSIS OF HEXAMERIC PURINE NUCLEOSIDE PHOSPHORYLASES. PLOS ONE V. 7 44282 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADN A:301;
Valid;
none;
submit data
267.241 C10 H13 N5 O4 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DA6 1.7 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF THE HEXAMERIC PURINE NUCLEOSIDE PHOSPHO FROM BACILLUS SUBTILIS IN COMPLEX WITH GANCICLOVIR BACILLUS SUBTILIS PHOSPHORYLASE/HYDROLASE-LIKE TRANSFERASE
Ref.: INSIGHTS INTO PHOSPHATE COOPERATIVITY AND INFLUENCE SUBSTRATE MODIFICATIONS ON BINDING AND CATALYSIS OF HEXAMERIC PURINE NUCLEOSIDE PHOSPHORYLASES. PLOS ONE V. 7 44282 2012
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
2 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
3 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
4 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
5 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
6 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
7 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1Z35 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
2 1Z34 ic50 = 0.42 mM 2FD C10 H12 F N5 O3 c1nc2c(nc(....
3 1Z38 - NOS C10 H12 N4 O5 c1nc2c(n1[....
4 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
5 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
6 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
7 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
8 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
9 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
10 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
11 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
12 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
13 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
14 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
15 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
16 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
17 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
18 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
19 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
20 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
21 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
22 1VHW - ADN C10 H13 N5 O4 c1nc(c2c(n....
23 5MX4 - HPA C5 H4 N4 O c1[nH]c2c(....
24 5MX6 - HPA C5 H4 N4 O c1[nH]c2c(....
25 5MX8 - HPA C5 H4 N4 O c1[nH]c2c(....
26 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
27 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
28 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
29 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
30 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
31 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
32 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
33 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
34 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
35 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
36 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
37 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
50% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1Z35 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
2 1Z34 ic50 = 0.42 mM 2FD C10 H12 F N5 O3 c1nc2c(nc(....
3 1Z38 - NOS C10 H12 N4 O5 c1nc2c(n1[....
4 1PR1 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
5 1OUM - TAL C12 H16 N4 O4 Cc1c2c(ncn....
6 1PR2 - MDR C11 H14 N4 O3 Cc1c2c(ncn....
7 1PR5 Ki = 120 uM TBN C11 H14 N4 O4 c1cn(c2c1c....
8 1PKE - 2FD C10 H12 F N5 O3 c1nc2c(nc(....
9 1PR6 - XYA C10 H13 N5 O4 c1nc(c2c(n....
10 1PR0 - NOS C10 H12 N4 O5 c1nc2c(n1[....
11 1PK9 - 2FA C10 H12 F N5 O4 c1nc2c(nc(....
12 1OV6 - DBM C12 H16 N4 O4 Cc1c2c(ncn....
13 1PR4 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
14 1PK7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
15 1OVG - MDR C11 H14 N4 O3 Cc1c2c(ncn....
16 1OU4 - 6MP C6 H6 N4 Cc1c2c(nc[....
17 1OTY - 6MP C6 H6 N4 Cc1c2c(nc[....
18 3UT6 - FMC C10 H13 N5 O4 c1nc2c(c(n....
19 1PW7 - RAB C10 H13 N5 O4 c1nc(c2c(n....
20 1K9S - FM2 C11 H16 N5 O4 C[n+]1cnc2....
21 1A69 Ki = 5 uM FMB C10 H12 N4 O5 C1=Nc2c(n[....
22 1VHW - ADN C10 H13 N5 O4 c1nc(c2c(n....
23 5MX4 - HPA C5 H4 N4 O c1[nH]c2c(....
24 5MX6 - HPA C5 H4 N4 O c1[nH]c2c(....
25 5MX8 - HPA C5 H4 N4 O c1[nH]c2c(....
26 1JDV - ADN C10 H13 N5 O4 c1nc(c2c(n....
27 1JDT - MTA C11 H15 N5 O3 S CSC[C@@H]1....
28 1JE1 - GMP C10 H13 N5 O5 c1nc2c(n1[....
29 1JDZ - FMB C10 H12 N4 O5 C1=Nc2c(n[....
30 2AC7 - ADN C10 H13 N5 O4 c1nc(c2c(n....
31 3UAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
32 3UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
33 3UAX - NOS C10 H12 N4 O5 c1nc2c(n1[....
34 3UAW - ADN C10 H13 N5 O4 c1nc(c2c(n....
35 1ODI Kd = 62 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
36 1ODJ Kd = 80 uM GMP C10 H13 N5 O5 c1nc2c(n1[....
37 4DAO - ADE C5 H5 N5 c1[nH]c2c(....
38 4DA6 - GA2 C9 H13 N5 O4 c1nc2c(n1C....
39 4DA7 - AC2 C8 H11 N5 O3 c1nc2c(n1C....
40 4DAE - 6CR C10 H12 Cl N5 O4 c1nc2c(n1[....
41 4D9H - ADN C10 H13 N5 O4 c1nc(c2c(n....
42 4D8V - ADE C5 H5 N5 c1[nH]c2c(....
43 4DAB - HPA C5 H4 N4 O c1[nH]c2c(....
44 3U40 - ADN C10 H13 N5 O4 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADN; Similar ligands found: 286
No: Ligand ECFP6 Tc MDL keys Tc
1 XYA 1 1
2 ADN 1 1
3 RAB 1 1
4 5N5 0.811321 0.967742
5 5CD 0.796296 0.920635
6 A4D 0.796296 0.967742
7 MTA 0.758621 0.878788
8 EP4 0.754386 0.852941
9 M2T 0.741379 0.828571
10 DTA 0.741379 0.865672
11 AMP 0.709677 0.842857
12 A 0.709677 0.842857
13 3DH 0.704918 0.878788
14 ZAS 0.68254 0.84058
15 5AD 0.672727 0.854839
16 6RE 0.671875 0.830986
17 SRA 0.671875 0.797297
18 AMP MG 0.661538 0.819444
19 DSH 0.661538 0.842857
20 AOC 0.661538 0.907692
21 7D7 0.660714 0.875
22 A3N 0.651515 0.923077
23 A2D 0.651515 0.84507
24 ABM 0.651515 0.819444
25 J7C 0.651515 0.842857
26 ADP 0.647059 0.84507
27 S4M 0.641791 0.766234
28 GJV 0.641791 0.819444
29 3AM 0.640625 0.828571
30 AN2 0.637681 0.833333
31 A12 0.632353 0.810811
32 AP2 0.632353 0.810811
33 BA3 0.632353 0.84507
34 MAO 0.632353 0.75641
35 Y3J 0.627119 0.828125
36 AP5 0.623188 0.84507
37 5AS 0.623188 0.714286
38 B4P 0.623188 0.84507
39 ATP 0.619718 0.84507
40 5X8 0.619718 0.865672
41 SON 0.614286 0.786667
42 A7D 0.614286 0.909091
43 APC 0.611111 0.810811
44 AQP 0.611111 0.84507
45 5FA 0.611111 0.84507
46 2FA 0.606557 0.924242
47 26A 0.606557 0.893939
48 M33 0.605634 0.833333
49 CA0 0.605634 0.821918
50 AU1 0.605634 0.821918
51 MHZ 0.605634 0.75641
52 ADP MG 0.605634 0.808219
53 ADX 0.605634 0.759494
54 AGS 0.60274 0.8
55 AD9 0.60274 0.821918
56 SAP 0.60274 0.8
57 2AM 0.6 0.842857
58 SFG 0.597222 0.850746
59 50T 0.597222 0.833333
60 BEF ADP 0.597222 0.786667
61 ACP 0.597222 0.821918
62 ADP BEF 0.597222 0.786667
63 MTP 0.590164 0.852941
64 APR 0.589041 0.84507
65 PRX 0.589041 0.797297
66 AR6 0.589041 0.84507
67 A3G 0.588235 0.938462
68 TAT 0.586667 0.810811
69 ACQ 0.586667 0.821918
70 A3P 0.585714 0.816901
71 RBY 0.581081 0.810811
72 ADV 0.581081 0.810811
73 SA8 0.581081 0.794521
74 ADP PO3 0.581081 0.842857
75 A5D 0.581081 0.865672
76 1DA 0.580645 1
77 6MD 0.580645 0.952381
78 ADQ 0.575 0.847222
79 OVE 0.573529 0.808219
80 SAH 0.573333 0.84058
81 SAI 0.573333 0.828571
82 ATP MG 0.573333 0.808219
83 G5A 0.573333 0.714286
84 A22 0.56962 0.833333
85 GAP 0.565789 0.821918
86 ANP 0.565789 0.821918
87 SAM 0.565789 0.773333
88 NEC 0.565217 0.876923
89 3AD 0.564516 0.951613
90 25A 0.5625 0.819444
91 7D5 0.560606 0.780822
92 AAT 0.558442 0.819444
93 5AL 0.558442 0.808219
94 EEM 0.558442 0.773333
95 ATF 0.551282 0.810811
96 ADP ALF 0.551282 0.776316
97 A5A 0.551282 0.719512
98 ALF ADP 0.551282 0.776316
99 CC5 0.55 0.935484
100 A3S 0.547945 0.953125
101 VO4 ADP 0.544304 0.808219
102 ADP VO4 0.544304 0.808219
103 SSA 0.544304 0.73494
104 SMM 0.544304 0.74359
105 ANP MG 0.544304 0.776316
106 S7M 0.544304 0.773333
107 SRP 0.544304 0.810811
108 QQX 0.544118 0.756757
109 S8M 0.54321 0.805556
110 ADP BMA 0.542169 0.847222
111 A2P 0.541667 0.802817
112 3D1 0.539683 0.907692
113 3L1 0.539683 0.907692
114 PAP 0.539474 0.830986
115 52H 0.5375 0.694118
116 54H 0.5375 0.702381
117 VMS 0.5375 0.702381
118 LSS 0.536585 0.678161
119 ACK 0.536232 0.811594
120 QQY 0.536232 0.767123
121 A3T 0.533333 0.968254
122 TSB 0.530864 0.731707
123 MAP 0.530864 0.8
124 53H 0.530864 0.694118
125 DAL AMP 0.530864 0.808219
126 5CA 0.530864 0.73494
127 GEK 0.52439 0.805556
128 8QN 0.52439 0.808219
129 OOB 0.52439 0.808219
130 5SV 0.52439 0.75641
131 OAD 0.52381 0.821918
132 25L 0.523256 0.833333
133 PPS 0.518987 0.7375
134 DSZ 0.518072 0.714286
135 4AD 0.518072 0.8
136 NSS 0.518072 0.714286
137 0UM 0.518072 0.808219
138 A1R 0.518072 0.813333
139 AMO 0.518072 0.810811
140 PAJ 0.518072 0.792208
141 A A 0.517647 0.819444
142 6CR 0.515152 0.910448
143 RP1 0.514286 0.77027
144 SP1 0.514286 0.77027
145 2VA 0.513158 0.938462
146 62X 0.511905 0.74359
147 00A 0.511905 0.766234
148 NVA LMS 0.511905 0.678161
149 DLL 0.511905 0.808219
150 AHX 0.511905 0.802632
151 3OD 0.511628 0.821918
152 ME8 0.511628 0.728395
153 PTJ 0.511628 0.75641
154 7D3 0.506849 0.783784
155 V3L 0.506329 0.819444
156 K15 0.505882 0.763158
157 3UK 0.505882 0.797297
158 LEU LMS 0.505882 0.678161
159 A6D 0.505882 0.763158
160 GSU 0.5 0.694118
161 2BA 0.5 0.814286
162 KAA 0.5 0.689655
163 PR8 0.5 0.759494
164 AD3 0.5 1
165 P5A 0.5 0.681818
166 CMP 0.5 0.826087
167 NVA 2AD 0.5 0.867647
168 ATR 0.5 0.816901
169 5F1 0.5 0.80597
170 LAD 0.5 0.769231
171 WAQ 0.5 0.766234
172 ATP A A A 0.494382 0.830986
173 FYA 0.494253 0.808219
174 BIS 0.494253 0.789474
175 SXZ 0.494253 0.773333
176 NB8 0.494253 0.779221
177 TXA 0.494253 0.810811
178 JB6 0.494253 0.766234
179 1ZZ 0.494253 0.728395
180 SO8 0.493671 0.924242
181 VRT 0.493671 0.897059
182 IVH 0.493333 0.835616
183 KB1 0.488636 0.783784
184 MYR AMP 0.488636 0.728395
185 2A5 0.487179 0.797297
186 NOC 0.484375 0.903226
187 4UV 0.483516 0.776316
188 9SN 0.483146 0.75641
189 A2R 0.481928 0.833333
190 7D4 0.480519 0.783784
191 FA5 0.477778 0.786667
192 YAP 0.477778 0.776316
193 D3Y 0.47619 0.924242
194 AFH 0.473118 0.792208
195 AR6 AR6 0.473118 0.819444
196 YSA 0.472527 0.694118
197 XAH 0.472527 0.75
198 TYR AMP 0.472527 0.786667
199 TBN 0.46875 0.983607
200 3BH 0.46875 0.953125
201 AMP DBH 0.467391 0.821918
202 101 0.465753 0.780822
203 LAQ 0.463158 0.728395
204 TO1 0.462687 0.952381
205 7C5 0.462366 0.819444
206 G3A 0.462366 0.779221
207 UPA 0.459184 0.813333
208 LPA AMP 0.458333 0.728395
209 4UU 0.457447 0.776316
210 7MD 0.457447 0.772152
211 G5P 0.457447 0.779221
212 A A A 0.454545 0.808219
213 5ID 0.454545 0.923077
214 GTA 0.452632 0.75
215 TAD 0.452632 0.769231
216 4YB 0.452632 0.678161
217 KH3 0.452632 0.776316
218 3NZ 0.449438 0.884058
219 TYM 0.44898 0.786667
220 OMR 0.44898 0.740741
221 WSA 0.44898 0.702381
222 AHZ 0.447917 0.728395
223 ARG AMP 0.447917 0.740741
224 139 0.445545 0.782051
225 48N 0.443299 0.779221
226 YLP 0.443299 0.731707
227 ARJ 0.441176 0.857143
228 AFX 0.441176 0.768116
229 AV2 0.440476 0.77027
230 D5M 0.44 0.756757
231 DA 0.44 0.756757
232 5J9 0.43956 0.773333
233 TXD 0.438776 0.789474
234 NAX 0.438776 0.759494
235 6V0 0.438776 0.779221
236 UP5 0.438776 0.8
237 NXX 0.438776 0.810811
238 DND 0.438776 0.810811
239 NAI 0.438776 0.789474
240 4UW 0.438776 0.746835
241 PO4 PO4 A A A A PO4 0.438202 0.802817
242 NA7 0.438202 0.810811
243 MZR 0.4375 0.859375
244 V1N 0.43617 0.819444
245 HO4 0.434783 0.952381
246 649 0.434343 0.662921
247 AF3 ADP 3PG 0.434343 0.746835
248 TXE 0.434343 0.789474
249 ALF ADP 3PG 0.434343 0.746835
250 LA8 ALF 3PG 0.434343 0.746835
251 IMO 0.434211 0.777778
252 3AT 0.433735 0.819444
253 G A A A 0.432692 0.779221
254 YLB 0.43 0.731707
255 YLC 0.43 0.75
256 AP0 0.43 0.779221
257 7MC 0.43 0.753086
258 4TC 0.43 0.779221
259 SGV 0.428571 0.967742
260 BS5 0.427184 0.674157
261 A4P 0.425743 0.73494
262 IOT 0.421569 0.722892
263 DAT 0.419753 0.76
264 COD 0.419048 0.72619
265 YLA 0.417476 0.731707
266 ADJ 0.417476 0.740741
267 T5A 0.417476 0.731707
268 AS 0.415584 0.717949
269 J1D 0.415094 0.625
270 0XU 0.414634 0.823529
271 CNA 0.413462 0.810811
272 AYB 0.413462 0.722892
273 103 0.413333 0.716216
274 A U 0.411765 0.8
275 GMP 0.410959 0.882353
276 NAD IBO 0.409524 0.776316
277 GGZ 0.409091 0.7125
278 ITT 0.407407 0.791667
279 BTX 0.40566 0.710843
280 NAD 0.40566 0.808219
281 4TA 0.40566 0.719512
282 SFB 0.401961 0.709302
283 U A G G 0.401869 0.766234
284 BT5 0.401869 0.702381
285 DZD 0.401869 0.769231
286 DTP 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DA6; Ligand: GA2; Similar sites found: 231
This union binding pocket(no: 1) in the query (biounit: 4da6.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PNO U5P 0.000000733 0.59462 None
2 3NJQ NJQ 0.00001879 0.48237 None
3 1UO4 PIH 0.0445 0.43828 None
4 4PB2 5UD 0.0102 0.41046 1.41509
5 3K37 BCZ 0.0001545 0.40001 1.58103
6 3K9W 4PS 0.00001467 0.43199 1.60428
7 3K9W ADE 0.00001467 0.43199 1.60428
8 3F81 STT 0.002493 0.50156 1.63934
9 1FNZ A2G 0.00002542 0.49616 1.68776
10 1C3X 8IG 0.00005968 0.53125 1.97628
11 3RO7 TDR 0.0000001296 0.48007 1.97628
12 5T63 ALA ALA ALA ALA 0.0002579 0.45958 1.97628
13 2R5T ANP 0.01274 0.4007 1.97628
14 3SHR CMP 0.01265 0.42464 2.00669
15 1NU4 MLA 0.005557 0.44518 2.06186
16 1JH7 UVC 0.0002704 0.41124 2.1164
17 1S8F GDP 0.01776 0.41069 2.25989
18 1FX8 BOG 0.0002438 0.47849 2.37154
19 4G1V FAD 0.000005832 0.44137 2.37154
20 4P87 4NP 0.0006037 0.43208 2.37154
21 1XX4 BAM 0.01853 0.42787 2.37154
22 1A8S PPI 0.01754 0.41639 2.37154
23 2Z5Y HRM 0.001277 0.41536 2.37154
24 3I51 45C 0.01932 0.41269 2.37154
25 2IYG FMN 0.03063 0.40397 2.41935
26 1F5F DHT 0.01625 0.40562 2.43902
27 4JEJ 1GP 0.0142 0.41849 2.45902
28 2GJ3 FAD 0.0000421 0.41126 2.5
29 2A8Y MTA 0.00001883 0.4779 2.7668
30 1GPJ CIT 0.004193 0.46749 2.7668
31 4QDF 30Q 0.0006215 0.43005 2.7668
32 4B9E FAH 0.03505 0.42622 2.7668
33 1XMV ADP 0.00000416 0.41323 2.7668
34 1SAZ ACP 0.0000433 0.41099 2.7668
35 4FUA PGH 0.0009665 0.42526 2.7907
36 3EW2 BTN 0.0441 0.40392 2.96296
37 1MZV AMP 0.02624 0.41051 2.97872
38 2JBH 5GP 0.02273 0.41722 3.11111
39 2ZWS PLM 0.008554 0.4892 3.16206
40 3VCA PRO 0.002126 0.47268 3.16206
41 3S9K CIT 0.01276 0.45923 3.16206
42 2WL9 MBD 0.0005729 0.43963 3.16206
43 1WG8 SAM 0.007817 0.41734 3.16206
44 1CR1 TTP 0.00001503 0.41642 3.16206
45 2PP3 LGT 0.00000922 0.40968 3.16206
46 1X1T NAD 0.00004535 0.40753 3.16206
47 4E13 NAD 0.01107 0.40298 3.16206
48 2FH5 GTP 0.00005919 0.41567 3.24324
49 1B5E DCM 0.01686 0.42317 3.25203
50 5DTF 5CT 0.008098 0.46944 3.27103
51 5DS8 GLY 5CT GLY ALA 0.0139 0.4533 3.27103
52 2Q37 3AL 0.01967 0.42895 3.31492
53 2PN6 GLN 0.00000003372 0.42707 3.33333
54 1J2Z SOG 0.00004244 0.41668 3.33333
55 2HNK SAH 0.007737 0.4119 3.34728
56 1SJW NGV 0.000791 0.40099 3.47222
57 2V5E SCR 0.04221 0.43963 3.5
58 2GN2 C5P 0.000003264 0.5532 3.50877
59 4RJK PYR 0.003988 0.5092 3.55731
60 2ZO9 MLI 0.0007061 0.47738 3.55731
61 2IZ1 ATR 0.01079 0.44699 3.55731
62 3K3G MMU 0.01708 0.42956 3.55731
63 2P8B NSK 0.0000439 0.42604 3.55731
64 2C5S AMP 0.01773 0.42217 3.55731
65 1K6M AGS 0.005568 0.41103 3.55731
66 2ZJ5 ADP 0.04658 0.41062 3.55731
67 1EYE PMM 0.03248 0.40286 3.55731
68 1VPD TLA 0.01892 0.40036 3.55731
69 3PHQ KDO 0.001251 0.55266 3.6036
70 1F7K UMP 0.0009117 0.43431 3.67647
71 2Q1A 2KT 0.00005421 0.4842 3.95257
72 1JN2 SFP 0.0004249 0.4788 3.95257
73 1V8K ANP 0.000174 0.43653 3.95257
74 3AIQ HBO 0.00001319 0.42895 3.95257
75 2QV7 ADP 0.006437 0.42541 3.95257
76 4JWX 1N4 0.02783 0.41723 3.95257
77 2BH9 NAP 0.02034 0.40486 3.95257
78 3MAG SAH 0.01576 0.40008 3.95257
79 1O6B ADP 0.0000002069 0.42842 4.14201
80 1VQ2 DDN 0.00001034 0.41459 4.14508
81 4JP3 CIT 0.0004913 0.41701 4.1841
82 3QDT A2G GAL 0.00463 0.47885 4.1958
83 3QDY CBS 0.007728 0.46031 4.1958
84 2BVE PH5 0.007545 0.40679 4.20168
85 2NZ2 ASP 0.001125 0.48269 4.34783
86 1ZFJ IMP 0.000001298 0.45735 4.34783
87 2NZ2 CIR 0.0005477 0.43349 4.34783
88 1IYE PGU 0.01226 0.41611 4.34783
89 3E5P PPI 0.007627 0.41219 4.34783
90 4AF0 IMP 0.000005436 0.40874 4.34783
91 1WKL ATP 0.0000006759 0.44161 4.37956
92 1WKL ADP 0.00004534 0.42378 4.37956
93 2ET1 GLV 0.00004363 0.43261 4.47761
94 4DN8 BMA 0.001236 0.49391 4.48718
95 1OGD RIP 0.02405 0.42024 4.58015
96 2BZ1 TAU 0.002827 0.51822 4.59184
97 1DXY COI 0.0009715 0.42835 4.74308
98 4IEN COA 0.0001882 0.42788 4.90798
99 4K30 NLG 0.01846 0.42567 5
100 1Z44 NPO 0.03425 0.45259 5.02959
101 1ONX ASP 0.00002323 0.47929 5.13834
102 1O9U ADZ 0.03325 0.43895 5.13834
103 1Y75 NAG 0.01437 0.42635 5.13834
104 3DG6 MUC 0.02486 0.4045 5.13834
105 1YBQ BDH 0.001058 0.4022 5.13834
106 2IMP NAI 0.000148 0.40043 5.13834
107 3RF4 FUN 0.04195 0.40875 5.17241
108 3VOZ 04A 0.000141 0.48798 5.5336
109 1VCO GLN 0.0001727 0.45022 5.5336
110 4HE2 AMP 0.00006993 0.44872 5.5336
111 2RCN GDP 0.004091 0.44639 5.5336
112 4WBD ADP 0.01483 0.44567 5.5336
113 4HPP GLU 0.00009275 0.43234 5.5336
114 4WBD CIT 0.04259 0.42706 5.5336
115 4FK7 P34 0.01014 0.42272 5.5336
116 2X61 CH 0.00000293 0.40497 5.5336
117 4QN6 LNV 0.0006837 0.40272 5.5336
118 1Y2W NAG 0.01811 0.43572 5.6338
119 3QVL 5HY 0.000002117 0.43081 5.71429
120 1E4I NFG 0.0000009399 0.52578 5.92885
121 4M7F BM3 0.002834 0.4639 5.92885
122 5A2J ALA PRO ASP THR ARG PRO 0.01517 0.45455 5.92885
123 2GWD GLU 0.003829 0.45255 5.92885
124 1QO0 BMD 0.04104 0.41778 5.92885
125 1Q11 TYE 0.02877 0.41655 5.92885
126 3HPF GAE 0.0008072 0.40555 5.92885
127 3D2Y AH0 ALA FGA LYS 0.01639 0.40238 5.92885
128 5DRN 5CT 0.02196 0.45254 6.01852
129 3LTW HLZ 0.01098 0.44661 6.07143
130 3A2Y TS5 0.01337 0.40902 6.09137
131 5D6C 57S 0.008566 0.47578 6.25
132 2WMO GTP 0.00867 0.42382 6.31579
133 3TKA CTN 0.02193 0.45642 6.32411
134 2OFE NAG 0.01444 0.44065 6.33803
135 3KJQ B94 0.03146 0.40346 6.70732
136 1K27 MTM 0.000005396 0.49911 6.71937
137 3I0O ADP 0.0301 0.40783 6.71937
138 4IU0 ABH 0.009046 0.40334 6.71937
139 3EGI ADP 0.008336 0.41882 6.79612
140 3M94 M7M 0.02056 0.40481 6.87831
141 1Y0L HAN 0.007702 0.48263 6.94444
142 2W3L DRO 0.04445 0.43183 6.94444
143 3VGL BGC 0.00002913 0.46796 7.11462
144 2XDQ MGX 0.01076 0.46633 7.11462
145 2WLT ASP 0.00003422 0.46572 7.11462
146 3ZPG 5GP 0.04508 0.43149 7.11462
147 2VAR AMP 0.009151 0.43089 7.11462
148 1TV5 ORO 0.004436 0.4301 7.11462
149 3VGL ANP 0.0003038 0.4124 7.11462
150 1BDB NAD 0.00005289 0.40606 7.11462
151 2VAR KDF 0.03116 0.40364 7.11462
152 1TV5 A26 0.009575 0.40244 7.11462
153 1MVQ MMA 0.00007808 0.44724 7.20339
154 2YP9 SIA CMO 0.01122 0.41377 7.50988
155 3PC3 P1T 0.00662 0.41132 7.50988
156 2FKA BEF 0.003352 0.42578 7.75194
157 3ESS 18N 0.005508 0.4328 7.82609
158 1SS4 GSH 0.03347 0.45112 7.84314
159 1SS4 CIT 0.04566 0.43124 7.84314
160 3BRE C2E 0.00373 0.47002 7.90514
161 1JQN DCO 0.00004118 0.4489 7.90514
162 1WVC CTP 0.000001555 0.44813 7.90514
163 1T26 GBD 0.0001451 0.40811 7.90514
164 1T26 NAI 0.0001451 0.40811 7.90514
165 2GGH NLQ 0.001035 0.40247 7.90514
166 3NOJ PYR 0.0009047 0.49031 7.98319
167 1TLG GAL 0.002058 0.4145 8
168 2HVK TBA 0.0002685 0.52692 8.01887
169 1Y1A GSH 0.02089 0.47121 8.19672
170 1RSD PSB 0.0000124 0.46031 8.26446
171 4Q3S X7A 0.003736 0.4043 8.3004
172 2JGS BTN 0.03105 0.41709 8.46154
173 1BGV GLU 0.0000001345 0.5003 8.69565
174 3QV9 QV7 0.0446 0.41155 8.69565
175 4NEC SAH 0.004859 0.40533 8.69565
176 2F2U M77 0.03031 0.4077 8.70647
177 2BMK PDD 0.01474 0.44294 8.84956
178 4BPM GSH 0.00002391 0.48318 8.98876
179 3EUF BAU 0.00001162 0.53005 9.09091
180 2BO4 FLC 0.04313 0.42149 9.09091
181 4KCT PYR 0.02897 0.41236 9.09091
182 1NXJ TLA 0.001876 0.4452 9.28962
183 1NXJ GLV 0.01521 0.42522 9.28962
184 1ULE GLA GAL NAG 0.01389 0.45333 9.33333
185 2W24 LYS 0.0006829 0.42407 9.33333
186 1XP8 AGS 0.0000001019 0.48005 9.48617
187 1JQ5 NAD 0.000002117 0.46692 9.48617
188 4LCQ URQ 0.0002946 0.43577 9.48617
189 2FR6 URI 0.005954 0.41959 9.58904
190 2FR6 CTN 0.01857 0.40025 9.58904
191 1RYI GOA 0.04493 0.43627 9.88142
192 4GLJ RHB 0.00004795 0.46086 10.2767
193 1UGX GAL MGC 0.0000132 0.47897 10.5263
194 3A1I UNU 0.03939 0.40258 10.6719
195 3CQ5 PMP 0.04826 0.4021 10.6719
196 1GXU 2HP 0.000005478 0.52039 10.989
197 1H16 PYR 0.02512 0.43948 11.4625
198 3CH5 GDP 0.001049 0.40725 11.5385
199 1CFV E3G 0.003077 0.41128 11.7647
200 3MMR ABH 0.0000006993 0.43282 11.8577
201 2Z9V PXM 0.01006 0.4381 12.253
202 1MFI FHC 0.0147 0.40912 13.1579
203 4TMK T5A 0.000003118 0.45541 13.615
204 4F8L GAL 0.007065 0.49422 13.7931
205 3TFC PEP 0.03296 0.41374 14.6245
206 3EJ0 11X 0.0008606 0.49134 14.7959
207 1A5Z OXM 0.0001642 0.55618 15.0198
208 1A5Z FBP 0.00003406 0.50158 15.0198
209 1A5Z NAD 0.00001334 0.42088 15.0198
210 3OYZ ACO 0.0007004 0.40363 15.0198
211 2OWZ CIT 0.002224 0.42555 15.415
212 2OWZ F6P 0.0001262 0.41752 15.415
213 4NTX AMR 0.0175 0.42906 16.6667
214 3DUR KDO 0.04783 0.41005 17.8571
215 4QAR ADE 0.0000003933 0.59623 21.393
216 1AL8 FMN 0.00003673 0.4061 22.1344
217 1OFH ADP 0.000005887 0.41683 23.5632
218 3BJE URA 0.000002221 0.60676 23.7154
219 3BJE R1P 0.0001812 0.49484 23.7154
220 3KPE TM3 0.00119 0.49473 25.641
221 3P0F BAU 0.000000535 0.57538 28.4585
222 3KVY URA 0.000002289 0.60296 29.249
223 3KVY R2B 0.00002603 0.54917 29.249
224 3LGS ADE 0.000002227 0.6027 29.6443
225 3LGS SAH 0.000002627 0.52332 29.6443
226 1ZOS MTM 0.000002182 0.54955 30
227 3BL6 FMC 0.00000222 0.52584 31.7391
228 4FFS BIG 0.000001269 0.53764 32.2176
229 3QPB URA 0.000004898 0.5906 41.1067
230 3QPB R1P 0.0003654 0.47389 41.1067
231 4BMX ADE 0.0000007575 0.59312 43.8735
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