Receptor
PDB id Resolution Class Description Source Keywords
3K9W 1.6 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE BURKHOLDERIA PSEUDOMALLEI WITH HYDROLYZED 3'-DEPHOSPHO COEN BURKHOLDERIA PSEUDOMALLEI NIAID SSGCID SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTDISEASE COENZYME A COA BIOSYNTHESIS HYDROLYSIS ATP-BINCOENZYME A BIOSYNTHESIS NUCLEOTIDE-BINDING NUCLEOTIDYLTRATRANSFERASE
Ref.: STRUCTURES OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERAS BURKHOLDERIA PSEUDOMALLEI. ACTA CRYSTALLOGR.,SECT.F V. 67 1032 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4PS A:167;
Valid;
none;
submit data
438.328 C11 H24 N2 O10 P2 S CC(C)...
ACT A:170;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ADE A:168;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
PG4 A:169;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
SO4 A:171;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K9W 1.6 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE BURKHOLDERIA PSEUDOMALLEI WITH HYDROLYZED 3'-DEPHOSPHO COEN BURKHOLDERIA PSEUDOMALLEI NIAID SSGCID SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTDISEASE COENZYME A COA BIOSYNTHESIS HYDROLYSIS ATP-BINCOENZYME A BIOSYNTHESIS NUCLEOTIDE-BINDING NUCLEOTIDYLTRATRANSFERASE
Ref.: STRUCTURES OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERAS BURKHOLDERIA PSEUDOMALLEI. ACTA CRYSTALLOGR.,SECT.F V. 67 1032 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
2 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
2 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
2 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
6 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
7 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
8 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
9 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
10 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
11 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
12 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
13 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
14 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
15 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
16 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
18 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
20 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
21 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
22 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
23 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
24 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
26 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
27 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4PS; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4PS 1 1
2 PNS 0.783333 1
3 PNY 0.580645 0.827586
4 N7E 0.526316 0.904762
5 H2V 0.526316 0.966667
6 PSR 0.519481 0.966667
7 PAZ 0.515152 0.881356
8 COD 0.490566 0.670588
9 SH3 0.488372 0.791667
10 COA 0.477477 0.682353
11 OPI 0.458333 0.8
12 S2N 0.456522 0.890625
13 168 0.423077 0.786885
14 COS 0.403361 0.666667
15 0T1 0.401709 0.662791
Ligand no: 2; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K9W; Ligand: 4PS; Similar sites found: 264
This union binding pocket(no: 1) in the query (biounit: 3k9w.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PNO U5P 0.000002139 0.6039 None
2 1GXU 2HP 0.00005176 0.50991 None
3 1UO4 PIH 0.01223 0.48945 None
4 1NU4 MLA 0.02354 0.48021 None
5 1TUV VK3 0.01317 0.47982 None
6 1BTN I3P 0.02772 0.47869 None
7 1JGS SAL 0.03161 0.47204 None
8 1UO5 PIH 0.0325 0.47127 None
9 2W3L DRO 0.02318 0.46542 None
10 4JCA CIT 0.03989 0.4581 None
11 1A5V Y3 0.01251 0.45694 None
12 2CCV A2G 0.0007334 0.45433 None
13 3ZZS TRP 0.0001643 0.44886 None
14 2C1Q BTN 0.0001408 0.44005 None
15 1AX2 NDG GAL 0.02256 0.43928 None
16 4K30 NLG 0.03076 0.42476 None
17 1VQ2 DDN 0.0000136 0.41978 None
18 1Y75 NAG 0.04721 0.41936 None
19 1JH7 UVC 0.001555 0.41168 None
20 1LYX PGA 0.0478 0.40919 None
21 3O55 FAD 0.01364 0.40749 None
22 4M7F BM3 0.00004948 0.57119 1.06952
23 4MOB ADP 0.01418 0.42791 1.06952
24 1Z6K OAA 0.009251 0.44737 1.60428
25 4JP3 CIT 0.0006045 0.43639 1.60428
26 4DA6 GA2 0.00001467 0.43199 1.60428
27 4IEN GDP 0.003367 0.42579 1.84049
28 3PNA CMP 0.03348 0.42671 1.94805
29 3IJH KO2 0.01238 0.45975 2.13904
30 2JL1 NAP 0.01851 0.40992 2.13904
31 2BS5 BGC GAL FUC 0.01665 0.40428 2.22222
32 3NGU ADP 0.03783 0.41382 2.64901
33 1H0C AOA 0.01248 0.46797 2.6738
34 3VGL BGC 0.0001943 0.46496 2.6738
35 2WL9 MBD 0.004086 0.42968 2.6738
36 1O7N IND 0.007625 0.42507 2.6738
37 4A6D SAM 0.02041 0.4136 2.6738
38 2HNK SAH 0.02408 0.41064 2.6738
39 3VGL ANP 0.002255 0.40896 2.6738
40 1Z34 2FD 0.0002994 0.40687 2.6738
41 2X68 CTE 0.022 0.40008 2.6738
42 4BPM GSH 0.0002188 0.47368 2.80899
43 1XX4 BAM 0.00771 0.46507 3.20856
44 4USS GSH 0.01628 0.44636 3.20856
45 3ZF8 GDP 0.02177 0.4319 3.20856
46 3SIX GDP 0.01838 0.43159 3.20856
47 2J5S KTA 0.00899 0.43142 3.20856
48 4HE2 AMP 0.00143 0.42938 3.20856
49 1NNS ASP 0.02818 0.42656 3.20856
50 4LCQ URQ 0.002686 0.42527 3.20856
51 2ZI8 SDT 0.003257 0.42235 3.20856
52 3IU9 T07 0.00004823 0.4138 3.20856
53 2VAR ANP 0.01754 0.41352 3.20856
54 1D7O NAD 0.0000008486 0.41092 3.20856
55 1D7O TCL 0.0000008486 0.41092 3.20856
56 4K5S FAD 0.0049 0.40695 3.20856
57 2IXB NAD 0.008217 0.40386 3.20856
58 2Q1S NAI 0.001729 0.40036 3.20856
59 1SS4 GSH 0.02072 0.48173 3.26797
60 4M6T SAM 0.0005816 0.42437 3.27869
61 1WKL ADP 0.00002912 0.45435 3.64964
62 1WKL ATP 0.00002494 0.43334 3.64964
63 1JN2 SFP 0.002129 0.46999 3.74332
64 1RYI GOA 0.03938 0.46824 3.74332
65 2W8Q SIN 0.003411 0.44544 3.74332
66 4FUA PGH 0.001253 0.44267 3.74332
67 2Z5Y HRM 0.001346 0.43571 3.74332
68 1I2L DCS 0.01082 0.42492 3.74332
69 3UXL CFI 0.0004251 0.42143 3.74332
70 1KW6 BPY 0.00001317 0.42008 3.74332
71 2BNF UTP 0.0008149 0.42002 3.74332
72 3OYZ ACO 0.001541 0.41507 3.74332
73 1IM8 SAI 0.0239 0.4081 3.74332
74 1DBT U5P 0.03536 0.40639 3.74332
75 3GX0 GDS 0.03646 0.40318 3.74332
76 4M37 SAH 0.04131 0.40093 3.74332
77 1KYV RBF 0.005148 0.44512 3.77358
78 1NXJ TLA 0.0008354 0.48106 3.82514
79 1NXJ GLV 0.0108 0.45062 3.82514
80 1JSH SIA GAL 0.001717 0.45044 3.97727
81 1YUM NCN 0.00001992 0.45744 4.13223
82 1EXB NDP 0.00002119 0.40073 4.21687
83 3I8T LBT 0.000813 0.51098 4.26829
84 5DRN 5CT 0.001825 0.53448 4.27807
85 1E4I NFG 0.00005697 0.49116 4.27807
86 4M5P MLA 0.01921 0.47753 4.27807
87 1Z44 NPO 0.02899 0.47444 4.27807
88 1Z42 HBA 0.03451 0.46504 4.27807
89 4P87 4NP 0.0005536 0.45549 4.27807
90 3NJQ NJQ 0.001538 0.43945 4.27807
91 1Y42 TYR 0.02819 0.43442 4.27807
92 1G7V PAI 0.0002288 0.43389 4.27807
93 1G6O ADP 0.00001271 0.43345 4.27807
94 1N6B DMZ 0.0005709 0.42699 4.27807
95 4PB2 5UD 0.01574 0.42122 4.27807
96 1FW1 GSH 0.02893 0.41912 4.27807
97 2C9O ADP 0.002656 0.41793 4.27807
98 3PXP MYR 0.03063 0.41187 4.27807
99 2B6N ALA PRO THR 0.03878 0.40807 4.27807
100 1BDB NAD 0.00001055 0.40646 4.27807
101 1AL8 FMN 0.0005255 0.40271 4.27807
102 1X1T NAD 0.00001781 0.40215 4.27807
103 4L6C 0BT 0.03231 0.40035 4.27807
104 2FH5 GTP 0.001396 0.40291 4.32432
105 4C81 CDP 0.00268 0.44795 4.34783
106 3PHQ KDO 0.0001179 0.63969 4.81283
107 2NZ2 ASP 0.00014 0.54882 4.81283
108 1IZC PYR 0.00001407 0.53203 4.81283
109 2HVK TBA 0.001039 0.51908 4.81283
110 1FX8 BOG 0.0001731 0.50796 4.81283
111 1A5Z OXM 0.006474 0.49029 4.81283
112 1A8S PPI 0.003975 0.46443 4.81283
113 1RZM E4P 0.01709 0.46052 4.81283
114 1A5Z FBP 0.001497 0.46004 4.81283
115 1TV5 ORO 0.004793 0.44831 4.81283
116 2OWZ CIT 0.002475 0.44422 4.81283
117 1FNZ A2G 0.002596 0.44341 4.81283
118 3FKQ ATP 0.01441 0.42598 4.81283
119 1TV5 N8E 0.01289 0.42486 4.81283
120 2NZ2 CIR 0.006342 0.41719 4.81283
121 4A3R CIT 0.001758 0.41668 4.81283
122 2Y6P CTP 0.04729 0.41581 4.81283
123 3MAG SAH 0.02951 0.40699 4.81283
124 3NKS FAD 0.002649 0.40684 4.81283
125 1XVA SAM 0.031 0.40611 4.81283
126 1SNY NAP 0.01423 0.40445 4.81283
127 3MCT SAH 0.03083 0.40363 4.81283
128 1A5Z NAD 0.0006936 0.40339 4.81283
129 4U9W COA 0.04569 0.40036 4.81283
130 1LSS NAD 0.03104 0.40351 5
131 1Z4V DAN 0.003763 0.41067 5.07519
132 4TMK T5A 0.00000000556 0.43183 5.34759
133 1VCO GLN 0.003261 0.42765 5.34759
134 1G41 ADP 0.00003342 0.42362 5.34759
135 1W31 SHO 0.00006342 0.42126 5.34759
136 3M0J OAF 0.003067 0.41825 5.34759
137 2NU8 COA 0.01253 0.40647 5.34759
138 3IPQ 965 0.009287 0.40424 5.34759
139 3DGB MUC 0.00001758 0.40226 5.34759
140 1QS8 IVA VAL VAL STA ALA STA 0.04471 0.40205 5.34759
141 4LBP 1WG 0.01285 0.40155 5.34759
142 1N9L FMN 0.04569 0.40165 5.50459
143 1LDM OXM 0.00228 0.47809 5.88235
144 2ZX7 ZX7 0.001104 0.4345 5.88235
145 1Q11 TYE 0.04726 0.4231 5.88235
146 1VKO NAD 0.000007271 0.41336 5.88235
147 1J2Z SOG 0.001252 0.40229 5.88235
148 3PC3 P1T 0.03599 0.4009 5.88235
149 1SJW NGV 0.00002292 0.46918 6.25
150 2WIC GNP 0.0004325 0.46816 6.41711
151 2Q1A 2KT 0.0016 0.45164 6.41711
152 3LTW HLZ 0.01999 0.45142 6.41711
153 5A2J ALA PRO ASP THR ARG PRO 0.03702 0.45038 6.41711
154 3CEV ARG 0.01199 0.44842 6.41711
155 2PP3 LGT 0.002667 0.42942 6.41711
156 1QCA FUA 0.00001956 0.41055 6.41711
157 1ML4 PAL 0.027 0.40726 6.41711
158 4CML 52N 0.01486 0.40264 6.41711
159 3HPF GAE 0.005906 0.4002 6.41711
160 4RLE 2BA 0.007481 0.40308 6.83761
161 4AP9 1PS 0.00007943 0.51206 6.95187
162 1MVQ MMA 0.000006667 0.50756 6.95187
163 1DXY COI 0.04014 0.45136 6.95187
164 1QR0 COA 0.01697 0.43702 6.95187
165 1Z45 GAL 0.02661 0.43568 6.95187
166 1KYZ SAH 0.00936 0.43069 6.95187
167 3I9G S1P 0.04358 0.42896 6.95187
168 1FS5 TLA 0.002824 0.42853 6.95187
169 1YBH P22 0.001704 0.42682 6.95187
170 3TI8 LNV 0.000414 0.42636 6.95187
171 1I1Q TRP 0.04866 0.41871 6.95187
172 4QN7 G39 0.004268 0.40462 6.95187
173 1Z45 UPG 0.03955 0.40432 6.95187
174 2RHW C0E 0.00007459 0.40399 6.95187
175 2X3F APC 0.003913 0.40005 6.95187
176 2BJF DXC 0.0008687 0.41265 6.99088
177 2YDW WSH 0.03639 0.42127 7.18954
178 2W24 LYS 0.0004095 0.4537 7.33333
179 5T63 ALA ALA ALA ALA 0.000103 0.49823 7.48663
180 4W6Z ETF 0.01933 0.47006 7.48663
181 1BGV GLU 0.0002039 0.43789 7.48663
182 1JQN DCO 0.001178 0.42701 7.48663
183 4Q3S X7A 0.003809 0.42387 7.48663
184 2Z9V PXM 0.04791 0.42279 7.48663
185 1FWE HAE 0.02721 0.43111 7.54717
186 1Y0L HAN 0.003512 0.52227 8.02139
187 2H29 DND 0.00004703 0.48086 8.02139
188 4RJK PYR 0.03132 0.4723 8.02139
189 3P47 CYS 0.02247 0.43516 8.02139
190 2WLT ASP 0.008647 0.40756 8.02139
191 1L3I SAH 0.01357 0.40521 8.02139
192 1FWY UD1 0.006646 0.40478 8.02139
193 3MMR ABH 0.0002148 0.4047 8.02139
194 1HV9 UD1 0.00122 0.4026 8.02139
195 2JBZ COA 0.0008055 0.40454 8.39161
196 4IAE 1DX 0.0001603 0.41056 8.46561
197 2YP9 SIA CMO 0.002851 0.45806 8.55615
198 3O9P MHI 0.000002731 0.42802 8.55615
199 4C25 13P 0.007923 0.40889 8.55615
200 5DUB GLY 5GG GLY ALA 0.003491 0.50928 9.09091
201 5DTF 5CT 0.007901 0.489 9.09091
202 2ET1 GLV 0.00004053 0.45874 9.09091
203 5DS8 GLY 5CT GLY ALA 0.02424 0.45795 9.09091
204 3QVL 5HY 0.000002794 0.45665 9.09091
205 2R5T ANP 0.005638 0.4333 9.09091
206 4A8T PAO 0.000004784 0.42948 9.09091
207 1GS5 NLG 0.002054 0.41919 9.30233
208 1GS5 ANP 0.002054 0.41919 9.30233
209 4Q3F TLA 0.0162 0.44208 9.40171
210 4LO6 SIA GAL 0.006527 0.48662 9.47368
211 1F7K UMP 0.01112 0.40717 9.55882
212 4HPP GLU 0.00004296 0.46707 9.62567
213 4IU0 ABH 0.001183 0.45676 9.62567
214 2GN2 C5P 0.004083 0.44942 9.62567
215 4EPL JAI 0.02014 0.42289 9.62567
216 5D6C 57S 0.01775 0.47582 10.1604
217 3GUZ PAF 0.02736 0.41111 10.1604
218 1NVV GNP 0.000006237 0.44068 10.6952
219 3VOZ 04A 0.0008124 0.47934 11.2299
220 4C2G ALA ALA ALA ALA 0.02783 0.43063 11.2299
221 4QCK ASD 0.005581 0.42184 11.2299
222 1JQ5 NAD 0.0000019 0.40148 11.2299
223 3CH5 GDP 0.003337 0.41236 11.5385
224 2DWU DGL 0.02487 0.43302 11.7647
225 2TOH HBI 0.0005187 0.46337 12.2995
226 1NF8 BOG 0.01593 0.46219 12.2995
227 3ZPG 5GP 0.009813 0.43909 12.2995
228 4G87 UD1 0.001198 0.4 12.2995
229 1YOA FMN 0.02763 0.47577 12.5786
230 3KPE TM3 0.017 0.45515 12.8205
231 1YBQ BDH 0.001004 0.42428 12.8342
232 1XP8 AGS 0.000001497 0.48102 13.369
233 3HL4 CDC 0.0005497 0.45835 13.369
234 3EJ0 11X 0.02353 0.44055 13.369
235 4QDC ASD 0.008407 0.41153 13.369
236 4DN8 BMA 0.01155 0.46403 13.4615
237 2GWD GLU 0.02775 0.43069 13.9037
238 1JAC AMG 0.02917 0.46645 14.2857
239 1UGX GAL MGC 0.001094 0.43884 14.2857
240 3NOJ PYR 0.0005689 0.522 14.4385
241 1NUS NMN 0.00003513 0.50238 14.4385
242 1NUS APC 0.00007125 0.48497 14.4385
243 1K4M NAD 0.00003446 0.47479 14.4385
244 2GGH NLQ 0.003876 0.40593 14.4385
245 3F81 STT 0.0271 0.4552 14.7541
246 1T0S BML 0.007221 0.48762 14.9733
247 1V8K ANP 0.001078 0.4335 14.9733
248 4QDF 30Q 0.01708 0.40046 15.508
249 1ZZ7 S0H 0.03559 0.42932 16.0428
250 2BMK PDD 0.003863 0.49231 16.5775
251 2D2I NAP 0.01293 0.41082 16.5775
252 3B20 NAD 0.01268 0.40866 16.5775
253 2PJL 047 0.00614 0.40272 16.5775
254 4AF0 MOA 0.002015 0.44122 17.1123
255 1QZZ SAM 0.04235 0.41159 17.1123
256 1KQN NAD 0.0001235 0.46439 19.2513
257 1N1D C2G 0.0006462 0.44011 19.3798
258 4QN6 LNV 0.004429 0.40009 20.8556
259 2BTO GTP 0.00232 0.40651 22.4599
260 2D4N DUP 0.01776 0.40683 25
261 1JOT GAL A2G 0.0002751 0.52122 26.3158
262 2QTR NXX 0.0000451 0.44247 26.738
263 1UNB PN1 0.0007228 0.40578 29.9465
264 1UNB AKG 0.001205 0.40564 29.9465
Pocket No.: 2; Query (leader) PDB : 3K9W; Ligand: ADE; Similar sites found: 251
This union binding pocket(no: 2) in the query (biounit: 3k9w.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PNO U5P 0.000002139 0.6039 None
2 1GXU 2HP 0.00005176 0.50991 None
3 1UO4 PIH 0.01223 0.48945 None
4 1NU4 MLA 0.02354 0.48021 None
5 1TUV VK3 0.01317 0.47982 None
6 1BTN I3P 0.02772 0.47869 None
7 1JGS SAL 0.03161 0.47204 None
8 1UO5 PIH 0.0325 0.47127 None
9 2W3L DRO 0.02318 0.46542 None
10 4JCA CIT 0.03989 0.4581 None
11 1A5V Y3 0.01251 0.45694 None
12 2CCV A2G 0.0007334 0.45433 None
13 3ZZS TRP 0.0001643 0.44886 None
14 2C1Q BTN 0.0001408 0.44005 None
15 1AX2 NDG GAL 0.02256 0.43928 None
16 4K30 NLG 0.03076 0.42476 None
17 1VQ2 DDN 0.0000136 0.41978 None
18 1Y75 NAG 0.04721 0.41936 None
19 1JH7 UVC 0.001555 0.41168 None
20 1LYX PGA 0.0478 0.40919 None
21 3O55 FAD 0.01364 0.40749 None
22 4M7F BM3 0.00004948 0.57119 1.06952
23 4MOB ADP 0.01418 0.42791 1.06952
24 1Z6K OAA 0.009251 0.44737 1.60428
25 4JP3 CIT 0.0006045 0.43639 1.60428
26 4DA6 GA2 0.00001467 0.43199 1.60428
27 4IEN GDP 0.003367 0.42579 1.84049
28 3PNA CMP 0.03348 0.42671 1.94805
29 3IJH KO2 0.01238 0.45975 2.13904
30 2JL1 NAP 0.01851 0.40992 2.13904
31 2BS5 BGC GAL FUC 0.01665 0.40428 2.22222
32 3NGU ADP 0.03783 0.41382 2.64901
33 1H0C AOA 0.01248 0.46797 2.6738
34 3VGL BGC 0.0001943 0.46496 2.6738
35 2WL9 MBD 0.004086 0.42968 2.6738
36 1O7N IND 0.007625 0.42507 2.6738
37 4A6D SAM 0.02041 0.4136 2.6738
38 2HNK SAH 0.02408 0.41064 2.6738
39 3VGL ANP 0.002255 0.40896 2.6738
40 1Z34 2FD 0.0002994 0.40687 2.6738
41 4BPM GSH 0.0002188 0.47368 2.80899
42 1XX4 BAM 0.00771 0.46507 3.20856
43 4USS GSH 0.01628 0.44636 3.20856
44 3ZF8 GDP 0.02177 0.4319 3.20856
45 3SIX GDP 0.01838 0.43159 3.20856
46 2J5S KTA 0.00899 0.43142 3.20856
47 4HE2 AMP 0.00143 0.42938 3.20856
48 1NNS ASP 0.02818 0.42656 3.20856
49 4LCQ URQ 0.002686 0.42527 3.20856
50 2ZI8 SDT 0.003257 0.42235 3.20856
51 3IU9 T07 0.00004823 0.4138 3.20856
52 2VAR ANP 0.01754 0.41352 3.20856
53 1D7O NAD 0.0000008486 0.41092 3.20856
54 1D7O TCL 0.0000008486 0.41092 3.20856
55 4K5S FAD 0.0049 0.40695 3.20856
56 2IXB NAD 0.008217 0.40386 3.20856
57 2Q1S NAI 0.001729 0.40036 3.20856
58 1SS4 GSH 0.02072 0.48173 3.26797
59 4M6T SAM 0.0005816 0.42437 3.27869
60 1WKL ADP 0.00002912 0.45435 3.64964
61 1WKL ATP 0.00002494 0.43334 3.64964
62 1JN2 SFP 0.002129 0.46999 3.74332
63 1RYI GOA 0.03938 0.46824 3.74332
64 2W8Q SIN 0.003411 0.44544 3.74332
65 4FUA PGH 0.001253 0.44267 3.74332
66 2Z5Y HRM 0.001346 0.43571 3.74332
67 1I2L DCS 0.01082 0.42492 3.74332
68 3UXL CFI 0.0004251 0.42143 3.74332
69 1KW6 BPY 0.00001317 0.42008 3.74332
70 2BNF UTP 0.0008149 0.42002 3.74332
71 3OYZ ACO 0.001541 0.41507 3.74332
72 1IM8 SAI 0.0239 0.4081 3.74332
73 1DBT U5P 0.03536 0.40639 3.74332
74 3GX0 GDS 0.03646 0.40318 3.74332
75 4M37 SAH 0.04131 0.40093 3.74332
76 1KYV RBF 0.005148 0.44512 3.77358
77 1NXJ TLA 0.0008354 0.48106 3.82514
78 1NXJ GLV 0.0108 0.45062 3.82514
79 1JSH SIA GAL 0.001717 0.45044 3.97727
80 1EXB NDP 0.00002119 0.40073 4.21687
81 3I8T LBT 0.000813 0.51098 4.26829
82 5DRN 5CT 0.001825 0.53448 4.27807
83 1E4I NFG 0.00005697 0.49116 4.27807
84 4M5P MLA 0.01921 0.47753 4.27807
85 1Z44 NPO 0.02899 0.47444 4.27807
86 1Z42 HBA 0.03451 0.46504 4.27807
87 4P87 4NP 0.0005536 0.45549 4.27807
88 3NJQ NJQ 0.001538 0.43945 4.27807
89 1Y42 TYR 0.02819 0.43442 4.27807
90 1G7V PAI 0.0002288 0.43389 4.27807
91 1G6O ADP 0.00001271 0.43345 4.27807
92 1N6B DMZ 0.0005709 0.42699 4.27807
93 4PB2 5UD 0.01574 0.42122 4.27807
94 1FW1 GSH 0.02893 0.41912 4.27807
95 2C9O ADP 0.002656 0.41793 4.27807
96 3PXP MYR 0.03063 0.41187 4.27807
97 1BDB NAD 0.00001055 0.40646 4.27807
98 1AL8 FMN 0.0005255 0.40271 4.27807
99 1X1T NAD 0.00001781 0.40215 4.27807
100 4L6C 0BT 0.03231 0.40035 4.27807
101 2FH5 GTP 0.001396 0.40291 4.32432
102 4C81 CDP 0.00268 0.44795 4.34783
103 3PHQ KDO 0.0001179 0.63969 4.81283
104 2NZ2 ASP 0.00014 0.54882 4.81283
105 1IZC PYR 0.00001407 0.53203 4.81283
106 2HVK TBA 0.001039 0.51908 4.81283
107 1FX8 BOG 0.0001731 0.50796 4.81283
108 1A5Z OXM 0.006474 0.49029 4.81283
109 1A8S PPI 0.003975 0.46443 4.81283
110 1RZM E4P 0.01709 0.46052 4.81283
111 1A5Z FBP 0.001497 0.46004 4.81283
112 1TV5 ORO 0.004793 0.44831 4.81283
113 2OWZ CIT 0.002475 0.44422 4.81283
114 1FNZ A2G 0.002596 0.44341 4.81283
115 3FKQ ATP 0.01441 0.42598 4.81283
116 1TV5 N8E 0.01289 0.42486 4.81283
117 2NZ2 CIR 0.006342 0.41719 4.81283
118 4A3R CIT 0.001758 0.41668 4.81283
119 2Y6P CTP 0.04729 0.41581 4.81283
120 3MAG SAH 0.02951 0.40699 4.81283
121 3NKS FAD 0.002649 0.40684 4.81283
122 1XVA SAM 0.031 0.40611 4.81283
123 1SNY NAP 0.01423 0.40445 4.81283
124 3MCT SAH 0.03083 0.40363 4.81283
125 1A5Z NAD 0.0006936 0.40339 4.81283
126 4U9W COA 0.04569 0.40036 4.81283
127 1LSS NAD 0.03104 0.40351 5
128 1Z4V DAN 0.003763 0.41067 5.07519
129 4TMK T5A 0.00000000556 0.43183 5.34759
130 1VCO GLN 0.003261 0.42765 5.34759
131 1G41 ADP 0.00003342 0.42362 5.34759
132 1W31 SHO 0.00006342 0.42126 5.34759
133 3M0J OAF 0.003067 0.41825 5.34759
134 2NU8 COA 0.01253 0.40647 5.34759
135 3IPQ 965 0.009287 0.40424 5.34759
136 3DGB MUC 0.00001758 0.40226 5.34759
137 1QS8 IVA VAL VAL STA ALA STA 0.04471 0.40205 5.34759
138 4LBP 1WG 0.01285 0.40155 5.34759
139 1N9L FMN 0.04569 0.40165 5.50459
140 1LDM OXM 0.00228 0.47809 5.88235
141 2ZX7 ZX7 0.001104 0.4345 5.88235
142 1Q11 TYE 0.04726 0.4231 5.88235
143 1VKO NAD 0.000007271 0.41336 5.88235
144 1J2Z SOG 0.001252 0.40229 5.88235
145 3PC3 P1T 0.03599 0.4009 5.88235
146 1SJW NGV 0.00002292 0.46918 6.25
147 2WIC GNP 0.0004325 0.46816 6.41711
148 2Q1A 2KT 0.0016 0.45164 6.41711
149 3LTW HLZ 0.01999 0.45142 6.41711
150 5A2J ALA PRO ASP THR ARG PRO 0.03702 0.45038 6.41711
151 3CEV ARG 0.01199 0.44842 6.41711
152 2PP3 LGT 0.002667 0.42942 6.41711
153 1QCA FUA 0.00001956 0.41055 6.41711
154 1ML4 PAL 0.027 0.40726 6.41711
155 4CML 52N 0.01486 0.40264 6.41711
156 3HPF GAE 0.005906 0.4002 6.41711
157 4RLE 2BA 0.007481 0.40308 6.83761
158 4AP9 1PS 0.00007943 0.51206 6.95187
159 1MVQ MMA 0.000006667 0.50756 6.95187
160 1DXY COI 0.04014 0.45136 6.95187
161 1QR0 COA 0.01697 0.43702 6.95187
162 1Z45 GAL 0.02661 0.43568 6.95187
163 1KYZ SAH 0.00936 0.43069 6.95187
164 3I9G S1P 0.04358 0.42896 6.95187
165 1FS5 TLA 0.002824 0.42853 6.95187
166 1YBH P22 0.001704 0.42682 6.95187
167 3TI8 LNV 0.000414 0.42636 6.95187
168 1I1Q TRP 0.04866 0.41871 6.95187
169 4QN7 G39 0.004268 0.40462 6.95187
170 1Z45 UPG 0.03955 0.40432 6.95187
171 2RHW C0E 0.00007459 0.40399 6.95187
172 2BJF DXC 0.0008687 0.41265 6.99088
173 2YDW WSH 0.03639 0.42127 7.18954
174 2W24 LYS 0.0004095 0.4537 7.33333
175 5T63 ALA ALA ALA ALA 0.000103 0.49823 7.48663
176 4W6Z ETF 0.01933 0.47006 7.48663
177 1BGV GLU 0.0002039 0.43789 7.48663
178 1JQN DCO 0.001178 0.42701 7.48663
179 4Q3S X7A 0.003809 0.42387 7.48663
180 2Z9V PXM 0.04791 0.42279 7.48663
181 1FWE HAE 0.02721 0.43111 7.54717
182 1Y0L HAN 0.003512 0.52227 8.02139
183 4RJK PYR 0.03132 0.4723 8.02139
184 3P47 CYS 0.02247 0.43516 8.02139
185 2WLT ASP 0.008647 0.40756 8.02139
186 1L3I SAH 0.01357 0.40521 8.02139
187 1FWY UD1 0.006646 0.40478 8.02139
188 3MMR ABH 0.0002148 0.4047 8.02139
189 1HV9 UD1 0.00122 0.4026 8.02139
190 2JBZ COA 0.0008055 0.40454 8.39161
191 4IAE 1DX 0.0001603 0.41056 8.46561
192 2YP9 SIA CMO 0.002851 0.45806 8.55615
193 3O9P MHI 0.000002731 0.42802 8.55615
194 4C25 13P 0.007923 0.40889 8.55615
195 5DUB GLY 5GG GLY ALA 0.003491 0.50928 9.09091
196 5DTF 5CT 0.007901 0.489 9.09091
197 2ET1 GLV 0.00004053 0.45874 9.09091
198 5DS8 GLY 5CT GLY ALA 0.02424 0.45795 9.09091
199 3QVL 5HY 0.000002794 0.45665 9.09091
200 2R5T ANP 0.005638 0.4333 9.09091
201 4A8T PAO 0.000004784 0.42948 9.09091
202 1GS5 ANP 0.002054 0.41919 9.30233
203 1GS5 NLG 0.002054 0.41919 9.30233
204 4Q3F TLA 0.0162 0.44208 9.40171
205 4LO6 SIA GAL 0.006527 0.48662 9.47368
206 1F7K UMP 0.01112 0.40717 9.55882
207 4HPP GLU 0.00004296 0.46707 9.62567
208 4IU0 ABH 0.001183 0.45676 9.62567
209 2GN2 C5P 0.004083 0.44942 9.62567
210 4EPL JAI 0.02014 0.42289 9.62567
211 5D6C 57S 0.01775 0.47582 10.1604
212 1NVV GNP 0.000006237 0.44068 10.6952
213 3VOZ 04A 0.0008124 0.47934 11.2299
214 4C2G ALA ALA ALA ALA 0.02783 0.43063 11.2299
215 4QCK ASD 0.005581 0.42184 11.2299
216 1JQ5 NAD 0.0000019 0.40148 11.2299
217 3CH5 GDP 0.003337 0.41236 11.5385
218 2DWU DGL 0.02487 0.43302 11.7647
219 2TOH HBI 0.0005187 0.46337 12.2995
220 1NF8 BOG 0.01593 0.46219 12.2995
221 4G87 UD1 0.001198 0.4 12.2995
222 1YOA FMN 0.02763 0.47577 12.5786
223 3KPE TM3 0.017 0.45515 12.8205
224 1YBQ BDH 0.001004 0.42428 12.8342
225 1XP8 AGS 0.000001497 0.48102 13.369
226 3EJ0 11X 0.02353 0.44055 13.369
227 4QDC ASD 0.008407 0.41153 13.369
228 4DN8 BMA 0.01155 0.46403 13.4615
229 2GWD GLU 0.02775 0.43069 13.9037
230 1JAC AMG 0.02917 0.46645 14.2857
231 1UGX GAL MGC 0.001094 0.43884 14.2857
232 3NOJ PYR 0.0005689 0.522 14.4385
233 2GGH NLQ 0.003876 0.40593 14.4385
234 3F81 STT 0.0271 0.4552 14.7541
235 1T0S BML 0.007221 0.48762 14.9733
236 1V8K ANP 0.001078 0.4335 14.9733
237 4QDF 30Q 0.01708 0.40046 15.508
238 1ZZ7 S0H 0.03559 0.42932 16.0428
239 2BMK PDD 0.003863 0.49231 16.5775
240 2D2I NAP 0.01293 0.41082 16.5775
241 3B20 NAD 0.01268 0.40866 16.5775
242 2PJL 047 0.00614 0.40272 16.5775
243 4AF0 MOA 0.002015 0.44122 17.1123
244 1QZZ SAM 0.04235 0.41159 17.1123
245 4QN6 LNV 0.004429 0.40009 20.8556
246 2BTO GTP 0.00232 0.40651 22.4599
247 2D4N DUP 0.01776 0.40683 25
248 1JOT GAL A2G 0.0002751 0.52122 26.3158
249 2QTR NXX 0.0001448 0.46274 26.738
250 1UNB PN1 0.0007228 0.40578 29.9465
251 1UNB AKG 0.001205 0.40564 29.9465
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