Receptor
PDB id Resolution Class Description Source Keywords
2WUZ 2.35 Å EC: 1.14.13.70 X-RAY STRUCTURE OF CYP51 FROM TRYPANOSOMA CRUZI IN COMPLEX WITH FLUCONAZOLE IN ALTERNATIVE CONFORMATION TRYPANOSOMA CRUZI OXIDOREDUCTASE METHYLTRANSFERASE P450 IRON CYP51 METAL-BINDING ERGOSTEROL BIOSYNTHESIS
Ref.: STRUCTURAL CHARACTERIZATION OF CYP51 FROM TRYPANOSOMA CRUZI AND TRYPANOSOMA BRUCEI BOUND TO THE ANTIFUNGAL DRUGS POSACONAZOLE AND FLUCONAZOLE PLOS NEGL TROP DIS V. 4 E651 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:1450;
B:1450;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
TPF A:1460;
B:1460;
Valid;
Valid;
none;
none;
submit data
306.271 C13 H12 F2 N6 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C0C 2.04 Å EC: 1.14.13.70 CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI CYP51 BOUND TO THE INHIBITOR (R)-N-(3-(1H-INDOL-3-YL)-1-OXO-1-(PYRIDIN-4- Y LAMINO)PROPAN-2-YL)-4-(4-(2,4-DIFLUOROPHENYL)PIPERAZIN-1- YL )-2-FLUOROBENZAMIDE. TRYPANOSOMA CRUZI OXIDOREDUCTASE STEROL BIOSYNTHESIS CHAGAS DISEASE
Ref.: 4-AMINOPYRIDYL-BASED CYP51 INHIBITORS AS ANTI-TRYPA CRUZI DRUG LEADS WITH IMPROVED PHARMACOKINETIC PROF IN VIVO POTENCY. J.MED.CHEM. V. 57 6989 2014
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4UVR - J5Y C34 H32 Cl F N6 O2 Cc1ccc(cc1....
2 2WUZ - TPF C13 H12 F2 N6 O c1cc(c(cc1....
3 4C0C Kd < 10 nM WVH C33 H29 F3 N6 O2 c1ccc2c(c1....
4 4COH Kd ~ 10 nM T9H C31 H29 F N6 O4 S2 c1ccc2c(c1....
5 4C28 - TW5 C33 H30 Cl F N6 O2 c1ccc2c(c1....
6 2WX2 - TPF C13 H12 F2 N6 O c1cc(c(cc1....
7 4UQH Kd = 240 nM 25S C33 H29 F3 N6 O2 c1ccc2c(c1....
8 4C27 - 26N C34 H30 F4 N6 O2 c1ccc2c(c1....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4UVR - J5Y C34 H32 Cl F N6 O2 Cc1ccc(cc1....
2 2WUZ - TPF C13 H12 F2 N6 O c1cc(c(cc1....
3 4C0C Kd < 10 nM WVH C33 H29 F3 N6 O2 c1ccc2c(c1....
4 4COH Kd ~ 10 nM T9H C31 H29 F N6 O4 S2 c1ccc2c(c1....
5 4C28 - TW5 C33 H30 Cl F N6 O2 c1ccc2c(c1....
6 2WX2 - TPF C13 H12 F2 N6 O c1cc(c(cc1....
7 4UQH Kd = 240 nM 25S C33 H29 F3 N6 O2 c1ccc2c(c1....
8 4C27 - 26N C34 H30 F4 N6 O2 c1ccc2c(c1....
9 3TIK - JKF C28 H22 Cl F2 N3 O2 Cn1cncc1[C....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4UVR - J5Y C34 H32 Cl F N6 O2 Cc1ccc(cc1....
2 2WUZ - TPF C13 H12 F2 N6 O c1cc(c(cc1....
3 4C0C Kd < 10 nM WVH C33 H29 F3 N6 O2 c1ccc2c(c1....
4 4COH Kd ~ 10 nM T9H C31 H29 F N6 O4 S2 c1ccc2c(c1....
5 4C28 - TW5 C33 H30 Cl F N6 O2 c1ccc2c(c1....
6 2WX2 - TPF C13 H12 F2 N6 O c1cc(c(cc1....
7 4UQH Kd = 240 nM 25S C33 H29 F3 N6 O2 c1ccc2c(c1....
8 4C27 - 26N C34 H30 F4 N6 O2 c1ccc2c(c1....
9 5HS1 Kd = 0.082 uM VOR C16 H14 F3 N5 O C[C@@H](c1....
10 4WMZ Kd = 0.074 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
11 5EAG - 5LU C15 H16 Cl3 N3 O2 CCCN(CCOc1....
12 4ZE1 Kd = 0.15 uM X2N C37 H42 F2 N8 O4 CC[C@@H]([....
13 5EAD - 5L9 C14 H15 Cl2 N3 O c1ccc(c(c1....
14 4ZE3 Kd = 0.11 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
15 5EAC - TBQ C16 H22 Cl N3 O CC(C)(C)[C....
16 4ZE0 Kd = 0.03 uM VOR C16 H14 F3 N5 O C[C@@H](c1....
17 4ZDY Kd = 0.13 uM 1YN C35 H38 Cl2 N8 O4 CC[C@@H](C....
18 5TZ1 Kd = 20.7 nM VT1 C23 H16 F7 N5 O2 c1cc(ccc1c....
19 2VKU Kd = 29.5 uM DBE C13 H10 O3 c1cc(ccc1C....
20 1X8V Kd = 100 uM ESL C18 H24 O3 C[C@]12CC[....
21 2W0A - CII C17 H25 N3 O2 CC(C)[C@@H....
22 2W09 Kd = 35.4 uM CM9 C18 H27 N3 O2 S CC1CCC(CC1....
23 2W0B Kd = 58.3 uM CMW C16 H19 N3 O4 S Cc1ccc(cc1....
24 2CIB Kd = 7.2 uM CM6 C19 H15 N5 O3 S2 c1ccc(cc1)....
25 2CI0 Kd = 5 uM 1CM C15 H16 N2 O CC[C@H](c1....
26 1E9X - PIM C9 H8 N2 c1ccc(cc1)....
27 3TIK - JKF C28 H22 Cl F2 N3 O2 Cn1cncc1[C....
28 4UHI Kd = 103 nM VFV C32 H23 F2 N5 O2 c1ccc(cc1)....
29 4UHL Kd = 103 nM VFV C32 H23 F2 N5 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TPF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TPF 1 1
2 VOR 0.492958 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C0C; Ligand: WVH; Similar sites found: 347
This union binding pocket(no: 1) in the query (biounit: 4c0c.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.01384 0.44022 None
2 2QDT I38 0.01355 0.40512 1.11524
3 2OYS FMN 0.0061 0.40527 1.23967
4 1V1A KDG 0.0002797 0.45583 1.2945
5 2CSN CKI 0.002344 0.4075 1.3468
6 1YHM AHD 0.01715 0.42496 1.38122
7 4PB2 5UD 0.001287 0.43744 1.41509
8 4QDC ASD 0.0004425 0.42635 1.53846
9 4QDF 30Q 0.0005944 0.42225 1.53846
10 3WAS BGC BMA 0.0009259 0.40324 1.53846
11 4QCK ASD 0.0002991 0.43704 1.5544
12 3TFC PEP 0.03106 0.40835 1.55844
13 2ZJF BSU 0.00536 0.43376 1.65746
14 3I6B KDO 0.03429 0.40635 1.66667
15 1PX8 XYP 0.02716 0.41543 1.71306
16 1I0Z OXM 0.03023 0.43463 1.8018
17 4ME6 ADP 0.0298 0.41351 1.81347
18 3ZRR PXG 0.00327 0.4185 1.82292
19 3E81 SLB 0.02987 0.41346 1.82927
20 3V1V GST 0.01073 0.40575 1.84758
21 2J5S KTA 0.0006291 0.44923 1.90114
22 1Z6K OAA 0.00001824 0.53659 1.92719
23 4KGM ATP 0.002807 0.44116 1.92719
24 3PMA SCR 0.03739 0.4046 1.9305
25 4M5P MLA 0.007269 0.47678 1.9656
26 4M5P 23W 0.02161 0.43621 1.9656
27 4M5P FMN 0.00732 0.4024 1.9656
28 2GWD GLU 0.01879 0.41416 2.00445
29 3ANK NG6 GCD 0.02829 0.40237 2.01005
30 3DER ALA LYS 0.00283 0.41735 2.02899
31 3I7S PYR 0.01787 0.44056 2.05479
32 2OFD NGA 0.02452 0.42236 2.11268
33 2OFE NAG 0.03376 0.4155 2.11268
34 2YIV NBN 0.01245 0.44255 2.14133
35 4RJK PYR 0.03962 0.4422 2.14133
36 1VJT NAD 0.009531 0.40127 2.14133
37 2Q3M MLA 0.03881 0.42864 2.14724
38 1QH9 LAC 0.01206 0.43752 2.15517
39 2Q8H TF4 0.01451 0.45212 2.2113
40 2DTJ THR 0.01635 0.41276 2.24719
41 1FP2 HMO 0.001128 0.44823 2.27273
42 3PUA OGA 0.0171 0.42402 2.29592
43 1JQI FAD 0.00004073 0.42975 2.31959
44 4F2Q QUS 0.01888 0.40271 2.32558
45 2VMD MBG 0.006562 0.47092 2.33463
46 1HQL GLA MBG 0.04727 0.41297 2.33463
47 4QVH FLC 0.01222 0.47621 2.35546
48 2Z5Y HRM 0.00005407 0.44983 2.35546
49 3ZGE ASP 0.01841 0.43988 2.35546
50 4AMV F6R 0.003788 0.42725 2.35546
51 1T10 F6P 0.04472 0.40503 2.35546
52 3ZPG 5GP 0.007325 0.46832 2.35602
53 1NF8 BOG 0.03868 0.41745 2.41546
54 3NFZ 3NF 0.0121 0.41444 2.44648
55 4JP3 CIT 0.006337 0.42628 2.51046
56 2B4Q NAP 0.00057 0.41512 2.53623
57 2VAR KDG 0.01133 0.41564 2.55591
58 2VAR KDF 0.01469 0.41088 2.55591
59 3L24 GOA 0.01189 0.45685 2.56959
60 4OYA 1VE 0.0002466 0.42295 2.56959
61 3W54 RNB 0.007235 0.41983 2.56959
62 3B9Z CO2 0.00788 0.44655 2.57732
63 3CBG FER 0.04876 0.42314 2.58621
64 2P69 PLP 0.02981 0.4135 2.61438
65 2WIC GNP 0.00281 0.40938 2.62172
66 1FS5 16G 0.00371 0.42 2.63158
67 1OIK AKG 0.01425 0.43396 2.65781
68 4B9E FAH 0.03363 0.42057 2.65781
69 1EYQ NAR 0.02959 0.40529 2.7027
70 4IU0 ABH 0.002635 0.41511 2.72727
71 2Q37 3AL 0.02359 0.41836 2.76243
72 3HZL 6PC 0.04836 0.42334 2.77078
73 1H16 PYR 0.01243 0.44886 2.78373
74 2IZ1 ATR 0.01677 0.43048 2.78373
75 2QF7 COA 0.01595 0.40573 2.78373
76 1ECC PCP 0.004198 0.4049 2.78373
77 1Y42 TYR 0.01618 0.42145 2.80612
78 1LYX PGA 0.01786 0.4037 2.82258
79 1KDK DHT 0.006676 0.40083 2.82486
80 4HZO COA 0.02834 0.41019 2.83019
81 1EYE PMM 0.01957 0.40561 2.85714
82 4CML 52N 0.0001231 0.44412 2.8754
83 1RYI GOA 0.04249 0.43801 2.87958
84 1JGS SAL 0.003394 0.50579 2.89855
85 4NM5 ADP 0.002348 0.41688 2.91777
86 1SQ5 PAU 0.01773 0.41962 2.92208
87 4LIT AKG 0.009129 0.43795 2.9484
88 1JN2 SFP 0.02169 0.44616 2.95359
89 1I2L DCS 0.01018 0.40021 2.97398
90 2F2U M77 0.01778 0.41118 2.98507
91 1MOQ GLP 0.003003 0.42349 2.98913
92 3UDG TMP 0.01486 0.45156 2.99003
93 1LCP PLU 0.0024 0.40716 2.99786
94 1XIU REA 0.005828 0.41608 3.04348
95 4M51 BEZ 0.0178 0.44065 3.0445
96 1XX4 BAM 0.0002428 0.5086 3.06513
97 2ZX7 ZX7 0.0009883 0.40647 3.07692
98 2UZ2 BTN 0.01592 0.40232 3.07692
99 4L1F FAD 0.00002979 0.43988 3.13316
100 3GJB AKG 0.03006 0.40498 3.1348
101 1Y7P RIP 0.04082 0.4114 3.13901
102 1O9U ADZ 0.03103 0.43401 3.14286
103 2NZ2 ASP 0.007312 0.43731 3.1477
104 2NZ2 CIR 0.0005481 0.42501 3.1477
105 1TV5 N8E 0.0005694 0.45087 3.16027
106 1TV5 ORO 0.002487 0.43248 3.16027
107 1TV5 A26 0.001332 0.42558 3.16027
108 1JH7 UVC 0.01221 0.43196 3.1746
109 5DRN 5CT 0.006963 0.47356 3.25581
110 4TMK T5A 0.001283 0.40773 3.28639
111 3NGU ADP 0.01419 0.40782 3.31126
112 2ZI8 SDT 0.0008657 0.4125 3.33333
113 1FNZ A2G 0.005555 0.40366 3.37553
114 2Q1A 2KT 0.0006583 0.43639 3.41297
115 1YOE RIB 0.001787 0.40274 3.41615
116 2V5K OXM 0.004483 0.43483 3.42612
117 2JFV FLC 0.02082 0.42587 3.43643
118 4B7E OGA 0.03191 0.41209 3.4384
119 3P3N AKG 0.03776 0.40475 3.4384
120 2XUM OGA 0.03971 0.40096 3.4384
121 1I2B NAD 0.001183 0.41259 3.46535
122 1I2B UPG 0.001183 0.41259 3.46535
123 1I2B USQ 0.001183 0.41259 3.46535
124 4CIB 7UZ 0.01472 0.42811 3.51648
125 1Y2W NAG 0.02571 0.42135 3.52113
126 1NJR XYL 0.002101 0.4033 3.52113
127 3CQ5 PMP 0.03674 0.40105 3.52304
128 4M7F BM3 0.02136 0.4005 3.53982
129 3U1T MLI 0.04197 0.41563 3.55987
130 4K7O EKZ 0.02724 0.42526 3.57143
131 3MAG 3MA 0.02489 0.44634 3.58306
132 1KWK GAL 0.009952 0.40372 3.64026
133 4A8H PUW 0.001452 0.40144 3.66197
134 4JEJ 1GP 0.0007309 0.4657 3.68852
135 1Q6O LG6 0.004759 0.4233 3.7037
136 3MCT 3MC 0.04361 0.40148 3.7037
137 1POC GEL 0.002979 0.42742 3.73134
138 1JAC AMG 0.02702 0.44429 3.7594
139 1QB7 ADE 0.02962 0.4015 3.81356
140 4N14 WR7 0.001318 0.48474 3.82166
141 1NXJ GLV 0.009184 0.42805 3.82514
142 1NXJ TLA 0.003607 0.42612 3.82514
143 1QW9 KHP 0.0006145 0.42671 3.85439
144 2XDQ MGX 0.04587 0.42461 3.85439
145 2YFT DQR 0.005441 0.42097 3.85439
146 4Q3S X7A 0.001135 0.41791 3.85439
147 1RYD GLC 0.0209 0.42578 3.87597
148 1P72 THM 0.03509 0.40588 3.89222
149 1WRA PC 0.02943 0.42354 3.8961
150 3IHB TRS 0.003322 0.53715 3.94737
151 3IHB GLU 0.0166 0.43621 3.94737
152 4F4S EFO 0.0266 0.41147 3.94737
153 3MTW M3R 0.003587 0.4282 3.97022
154 3I8P 840 0.01648 0.40171 3.98126
155 1U5R ATP 0.00896 0.41232 4.02299
156 1GU3 BGC BGC BGC BGC BGC 0.04363 0.40147 4.02685
157 3GD8 BOG 0.01418 0.44586 4.03587
158 1KTC NGA 0.03628 0.40521 4.06852
159 3UEC ALA ARG TPO LYS 0.008498 0.45096 4.10959
160 1VQ2 DDN 0.007561 0.41167 4.14508
161 1DXY COI 0.02889 0.43572 4.2042
162 4LO6 SIA GAL 0.03018 0.42569 4.21053
163 2FGQ MLT 0.00171 0.47894 4.21687
164 4MOB ADP 0.003798 0.42523 4.21687
165 3AYS CT3 0.008387 0.42534 4.25532
166 3IB9 BTN 0.009203 0.45238 4.28266
167 3I51 45C 0.01759 0.40756 4.28266
168 1NML CIT 0.02897 0.40975 4.29448
169 2ALG DAO 0.004876 0.4088 4.34783
170 2ALG HP6 0.004876 0.4088 4.34783
171 1E4E ADP 0.007732 0.40789 4.37318
172 2ZO9 MLI 0.005317 0.43167 4.37956
173 2B7N NTM 0.006052 0.4464 4.3956
174 2H6B 3C4 0.0001521 0.40326 4.4
175 4L7I SAM 0.01018 0.40663 4.4226
176 2VQ5 HBA 0.00359 0.46987 4.47761
177 1Z42 HBA 0.01219 0.47901 4.49679
178 2W8Q SIN 0.01059 0.44611 4.51745
179 2YDW WSH 0.01038 0.42133 4.57516
180 3E5P PPI 0.04333 0.44807 4.58221
181 2HEK GDP 0.02733 0.40303 4.58221
182 1ECM TSA 0.002466 0.45346 4.58716
183 2Y7P SAL 0.007085 0.43794 4.58716
184 1R5A GTS 0.03395 0.4026 4.58716
185 1QY1 PRZ 0.00526 0.4076 4.5977
186 3NOJ PYR 0.03033 0.41094 4.62185
187 2QLX RM4 0.02084 0.43118 4.62963
188 1F1V DHY 0.02119 0.41181 4.64396
189 1T26 NAI 0.000674 0.40901 4.65839
190 1T26 GBD 0.000674 0.40901 4.65839
191 3NJQ NJQ 0.0004678 0.42723 4.66321
192 1ULE GLA GAL NAG 0.03462 0.42537 4.66667
193 1Z45 UPG 0.001191 0.43872 4.71092
194 4WBD CIT 0.038 0.42322 4.71092
195 1Z45 GAL 0.02215 0.41515 4.71092
196 1FWE HAE 0.004351 0.4425 4.71698
197 1M1B SPV 0.0008227 0.48733 4.74576
198 3KYF 5GP 5GP 0.0304 0.401 4.7619
199 1ZUW DGL 0.03598 0.40146 4.77941
200 2Q09 DI6 0.00706 0.43314 4.80769
201 2Q8M AMP 0.001972 0.4476 4.81928
202 4F8L GAL 0.02484 0.45439 4.82759
203 2IYG FMN 0.01106 0.41608 4.83871
204 3KMZ EQO 0.002841 0.40474 4.88722
205 1PKK DCP 0.001823 0.42077 4.90196
206 4IEN COA 0.0006638 0.40746 4.90798
207 3EYK EYK 0.0004408 0.50763 4.95356
208 2EJU SAH 0.01168 0.40107 5.02645
209 1WKL ADP 0.003971 0.41889 5.10949
210 3RF4 FUN 0.0454 0.40066 5.17241
211 3EW2 BTN 0.03694 0.40094 5.18518
212 1Y9Q MED 0.002978 0.46719 5.20833
213 3ZF8 GDP 0.008273 0.4256 5.2459
214 1JOT GAL A2G 0.00401 0.43921 5.26316
215 4AF5 CIT 0.0134 0.43526 5.26316
216 1VE3 SAM 0.007714 0.40468 5.28634
217 2HFK E4H 0.004343 0.44769 5.32915
218 2JBH 5GP 0.01102 0.42451 5.33333
219 1EB9 HBA 0.01869 0.40645 5.34351
220 4FGC PQ0 0.00814 0.44031 5.45455
221 2ARC ARA 0.02226 0.41219 5.4878
222 3QP4 HL0 0.005397 0.42111 5.49451
223 4E28 9MZ 0.01948 0.42728 5.53846
224 1ZZ7 S0H 0.02382 0.41481 5.55556
225 3DX5 DHB 0.003557 0.44146 5.59441
226 1OGZ EQU 0.01389 0.41191 5.6
227 2BZ1 TAU 0.039 0.44262 5.61225
228 3SJ0 DXC 0.03264 0.42124 5.6338
229 1KYV RBF 0.007972 0.41078 5.66038
230 2ZSC BTN 0.02143 0.40043 5.67376
231 2HZQ STR 0.0218 0.41881 5.74713
232 3PNA CMP 0.02174 0.41131 5.84416
233 2EB5 OXL 0.0064 0.45097 5.99251
234 3SQG COM 0.04221 0.43314 5.99572
235 3F81 STT 0.03411 0.43174 6.01093
236 2OVD DAO 0.03596 0.40653 6.04396
237 3RKR NAP 0.01444 0.4151 6.10687
238 1UW1 ADP 0.006484 0.44499 6.25
239 3DG6 MUC 0.006343 0.42218 6.26703
240 3GM5 CIT 0.006233 0.45153 6.28931
241 3VCA PRO 0.001475 0.4722 6.31068
242 4R3L COA 0.01166 0.40601 6.35838
243 2GJN FMN 0.00381 0.40052 6.40244
244 4NAO AKG 0.009904 0.44759 6.44172
245 1ML4 PAL 0.001549 0.41821 6.49351
246 2V5E SCR 0.0122 0.46402 6.5
247 4A6D SAM 0.001631 0.42968 6.51558
248 1F7K UMP 0.001009 0.42457 6.61765
249 1QO0 BMD 0.009299 0.44304 6.63265
250 1KC7 PPR 0.01889 0.43336 6.63812
251 3RFV 15L 0.002324 0.40472 6.74157
252 3EM1 TYD 0.003808 0.40486 6.84932
253 1O68 KIV 0.02228 0.41504 6.90909
254 1G8S MET 0.006489 0.45068 6.95652
255 1ZGA HMK 0.002682 0.44199 7.0028
256 1QR0 COA 0.02829 0.40238 7.01754
257 4UBP HAE 0.003609 0.4152 7.06638
258 3K3K A8S 0.004228 0.41437 7.109
259 4LKK SIA GAL 0.001785 0.43206 7.14286
260 4W6Z ETF 0.007534 0.46765 7.20461
261 1LTH OXM 0.01216 0.41836 7.21003
262 1LTH FBP 0.02724 0.41099 7.21003
263 4WX0 HXD 0.01466 0.40376 7.22433
264 1GJW MAL 0.00615 0.43118 7.28051
265 1GJW GLC 0.02372 0.42832 7.28051
266 3O2K QRP 0.009929 0.42217 7.28051
267 4N7C AEF 0.02586 0.42641 7.38636
268 2ZWS PLM 0.01158 0.47416 7.49465
269 4K30 NLG 0.01058 0.42994 7.5
270 1BTN I3P 0.001091 0.54286 7.54717
271 3QP6 HL6 0.009682 0.41464 7.54717
272 1A5V Y3 0.01534 0.42727 7.59494
273 2HVW DDN 0.0144 0.40756 7.6087
274 3EJ0 11X 0.003604 0.45417 7.65306
275 3CEV ARG 0.003765 0.44529 7.69231
276 1JCM 137 0.001708 0.40335 7.72201
277 1V6A TRE 0.03474 0.41031 7.83133
278 3NNF AKG 0.0249 0.42203 7.84884
279 4IMG NGF 0.008462 0.40319 7.84983
280 1TUV VK3 0.04701 0.42402 7.89474
281 3BK2 U5P 0.01122 0.41582 7.92291
282 4G28 0W8 0.01663 0.41652 8.05369
283 3TKA CTN 0.008886 0.47855 8.06916
284 4EXO PYR 0.004157 0.47381 8.21918
285 2PR5 FMN 0.002619 0.42575 8.33333
286 9LDT OXM 0.009855 0.46928 8.43373
287 9LDB OXM 0.01194 0.46455 8.43373
288 1SS4 CIT 0.005035 0.49575 8.49673
289 1SS4 GSH 0.01239 0.47313 8.49673
290 4COQ SAN 0.04117 0.41122 8.50202
291 1I1Q TRP 0.01256 0.42198 8.85417
292 1LDM OXM 0.004522 0.43696 9.11854
293 1WHT BZS 0.008569 0.44478 9.15033
294 4A6F SEP 0.01151 0.46545 9.16667
295 1Q3P GLU ALA GLN THR ARG LEU 0.00203 0.45722 9.17431
296 2WH8 II2 0.01961 0.41506 9.20097
297 1Y75 NAG 0.005191 0.43909 9.32203
298 3WCS MAN NAG 0.0113 0.42862 9.44882
299 3WCS MAN NAG GAL 0.01767 0.4113 9.44882
300 1AUA BOG 0.02539 0.41241 9.45946
301 4LHM AZZ 0.02335 0.41857 9.54545
302 2WL9 MBD 0.002726 0.4083 9.63597
303 1A5Z OXM 0.01768 0.4408 9.71787
304 3QDW A2G 0.03004 0.43479 9.79021
305 3P47 CYS 0.009181 0.42805 9.84127
306 4U9W COA 0.006646 0.40872 10.1449
307 4U9W SER GLY ARG GLY LYS NH2 0.0496 0.40498 10.1449
308 2OHV NHL 0.01974 0.41319 10.2273
309 1WNG SAH 0.002633 0.42199 10.566
310 3K3G MMU 0.01233 0.42927 10.5882
311 1YRX FMN 0.01166 0.41133 10.7438
312 3UNG ADP 0.02907 0.4125 11.1349
313 1WTC ACP 0.01029 0.44674 11.4551
314 4NTX AMR 0.03828 0.40617 11.6667
315 1WGC SIA GAL BGC 0.01398 0.46064 11.6959
316 1Y1A GSH 0.005377 0.49975 12.0219
317 4JRB PGT 0.01936 0.4058 12.2056
318 1NU4 MLA 0.01341 0.42072 12.3711
319 1H8P PC 0.007529 0.46767 12.844
320 3T2W BTN 0.006428 0.43035 13.1148
321 1OGD RIP 0.03402 0.4065 13.7405
322 2WCV FUC 0.03015 0.40492 14.2857
323 2FR6 URI 0.001956 0.43056 14.3836
324 2FR6 CTN 0.009554 0.40439 14.3836
325 4Q3F TLA 0.00003055 0.5641 14.5299
326 1H2K OGA 0.04438 0.40078 14.6341
327 1N9L FMN 0.002279 0.42803 14.6789
328 3CF6 SP1 0.00676 0.41721 14.9701
329 1CBF SAH 0.01012 0.4102 15.0877
330 2D0V PQQ 0.003487 0.41747 15.2778
331 3KPE TM3 0.02732 0.42004 15.3846
332 4LFL TG6 0.01752 0.41146 15.6977
333 2XI7 XI7 0.03827 0.44311 15.7609
334 4JWX 1N4 0.03705 0.40478 16.4286
335 4B16 NAG 0.007559 0.47582 18.797
336 1O7N IND 0.0001697 0.45718 20.6186
337 1ZOA 140 0.0003841 0.44594 20.7709
338 2JC9 ADN 0.03688 0.40487 20.985
339 1XE7 GUN 0.04567 0.42472 23.6453
340 2GJ3 FAD 0.0001706 0.42939 25
341 2FEQ 34P 0.006886 0.41326 25
342 1H2M OGA 0.04342 0.4013 26.9231
343 3MDV CL6 0.003741 0.40361 34.2105
344 2XRH NIO 0.005579 0.4602 36
345 1T0S BML 0.02079 0.41924 38.3721
346 2FDW D3G 0.01782 0.41721 43.2548
347 2VE3 REA 0.001425 0.46844 43.6937
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