Receptor
PDB id Resolution Class Description Source Keywords
3DAG 1.75 Å EC: 1.12.98.2 THE CRYSTAL STRUCTURE OF [FE]-HYDROGENASE HOLOENZYME (HMD) F METHANOCALDOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII ROSSMANN FOLD HELIX BUNDLE METHANOGENESIS ONE-CARBON METAOXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF [FE]-HYDROGENASE REVEALS T GEOMETRY OF THE ACTIVE SITE. SCIENCE V. 321 572 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMO A:502;
A:504;
Invalid;
Invalid;
none;
none;
submit data
28.01 C O [C-]#...
FE2 A:503;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
FEG A:501;
Valid;
none;
submit data
542.393 C19 H23 N6 O11 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DAG 1.75 Å EC: 1.12.98.2 THE CRYSTAL STRUCTURE OF [FE]-HYDROGENASE HOLOENZYME (HMD) F METHANOCALDOCOCCUS JANNASCHII METHANOCALDOCOCCUS JANNASCHII ROSSMANN FOLD HELIX BUNDLE METHANOGENESIS ONE-CARBON METAOXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF [FE]-HYDROGENASE REVEALS T GEOMETRY OF THE ACTIVE SITE. SCIENCE V. 321 572 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
5 4JJF Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
6 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DAF - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
2 3F46 - I2C FE2 CMO CMO n/a n/a
3 3H65 - H4M C31 H45 N6 O16 P C[C@H]1[C@....
4 3DAG - FEG C19 H23 N6 O11 P Cc1c(nc(c(....
5 4JJF Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
6 4JJG Ki = 2 nM IC9 C10 H15 N O2 S Cc1ccc(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FEG; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 FEG 1 1
2 ZGP 0.87619 0.964286
3 YGP 0.642857 0.883721
4 GNH 0.628571 0.869048
5 GP3 0.625 0.903614
6 Y9Z 0.622807 0.885057
7 GSP 0.62037 0.83908
8 GDP 0.619048 0.879518
9 5GP 0.601942 0.890244
10 G 0.601942 0.890244
11 GTP 0.601852 0.879518
12 GMV 0.601852 0.858824
13 GCP 0.59633 0.880952
14 G1R 0.59633 0.891566
15 GNP 0.590909 0.858824
16 G2R 0.578947 0.870588
17 GP2 0.574074 0.870588
18 GPG 0.573913 0.892857
19 GDX 0.570248 0.903614
20 GDP MG 0.563636 0.837209
21 GFB 0.563025 0.915663
22 GDR 0.563025 0.915663
23 JB2 0.561983 0.915663
24 JB3 0.56 0.927711
25 GDP BEF 0.558559 0.818182
26 GKE 0.554622 0.892857
27 GDC 0.554622 0.892857
28 GDD 0.554622 0.892857
29 GAV 0.552632 0.848837
30 GTG 0.55 0.894118
31 GKD 0.54918 0.892857
32 G2P 0.548673 0.870588
33 6CK 0.545455 0.872093
34 G3A 0.545455 0.903614
35 GPD 0.544715 0.951807
36 ALF 5GP 0.544643 0.808989
37 GTP MG 0.54386 0.837209
38 BEF GDP 0.54386 0.808989
39 GDP ALF 0.543103 0.808989
40 G5P 0.540984 0.903614
41 NGD 0.53125 0.892857
42 GDP AF3 0.529915 0.808989
43 FE9 0.529851 0.804124
44 GCP G 0.525862 0.847059
45 U2G 0.51938 0.850575
46 MGD 0.518797 0.813187
47 G G 0.516667 0.891566
48 CG2 0.51145 0.850575
49 GDP 7MG 0.504 0.892857
50 2MD 0.496241 0.813187
51 GMP 0.495146 0.77381
52 PGD 0.492754 0.840909
53 MD1 0.492754 0.833333
54 I2C FE2 CMO CMO 0.492647 0.836957
55 G4P 0.487395 0.86747
56 DBG 0.485714 0.882353
57 CAG 0.485294 0.844444
58 0O2 0.483607 0.86747
59 G3D 0.483051 0.86747
60 TPG 0.475177 0.808511
61 3GP 0.468468 0.855422
62 G4M 0.463087 0.908046
63 U A G G 0.456522 0.891566
64 BGO 0.451852 0.904762
65 G A A A 0.449275 0.880952
66 GPX 0.447154 0.833333
67 2GP 0.442478 0.845238
68 GGM 0.442029 0.883721
69 PGD O 0.441379 0.778947
70 G1R G1R 0.434483 0.904762
71 GPC 0.432624 0.822222
72 G1G 0.426573 0.905882
73 GH3 0.419355 0.879518
74 DGI 0.416667 0.858824
75 DGT 0.414634 0.858824
76 IDP 0.411765 0.855422
77 G C 0.411348 0.83908
78 G G U 0.410448 0.891566
79 DG 0.401709 0.869048
80 DGP 0.401709 0.869048
81 U G A 0.401274 0.850575
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DAG; Ligand: FEG; Similar sites found: 642
This union binding pocket(no: 1) in the query (biounit: 3dag.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8G CHT 0.01566 0.4469 None
2 2E1A MSE 0.001182 0.44489 None
3 2O66 FLC 0.00911 0.43626 None
4 4W6Z ETF 0.00761 0.44704 1.15274
5 2RCN GDP 0.0007043 0.44841 1.39665
6 1UOU CMU 0.001979 0.42079 1.39665
7 2C5S AMP 0.007015 0.41278 1.39665
8 3NNF AKG 0.004422 0.43774 1.45349
9 1I2L DCS 0.001966 0.40457 1.48699
10 2DBZ NAP 0.001498 0.40232 1.49701
11 1I0Z OXM 0.00495 0.45666 1.5015
12 2BO4 FLC 0.001588 0.46536 1.67598
13 1MUU NAD 0.0004456 0.43978 1.67598
14 1H2B NAJ 0.00007436 0.42873 1.67598
15 4ME6 ADP 0.006812 0.42346 1.67598
16 4LHM AZZ 0.01117 0.41391 1.67598
17 4DXJ IPE 0.00745 0.4117 1.67598
18 3L9W GSH 0.001636 0.40289 1.67598
19 3BLI PYR 0.0106 0.42614 1.78042
20 1V6A TRE 0.00195 0.47127 1.80723
21 2VT3 ATP 0.000008378 0.56679 1.86047
22 1YOE RIB 0.002936 0.4285 1.86335
23 1NW5 SAM 0.001601 0.40761 1.88088
24 4HZO COA 0.0005786 0.46408 1.88679
25 2AHR NAP 0.0001505 0.43497 1.9305
26 1KC7 PPR 0.0003203 0.49837 1.95531
27 2NVK NAP 0.0008962 0.48555 1.95531
28 3HZL 6PC 0.002923 0.46843 1.95531
29 4RPM HXC 0.01392 0.44981 1.95531
30 2Z9V PXM 0.002027 0.44077 1.95531
31 1PEA ACM 0.02091 0.41789 1.95531
32 1E5F PLP 0.002229 0.41449 1.95531
33 4J36 FAD 0.0005372 0.40113 1.95531
34 1B74 DGN 0.003473 0.45651 1.9685
35 1UF5 CDT 0.01069 0.40084 1.9802
36 2Y0I AKG 0.001756 0.44954 1.98864
37 3P3N AKG 0.001412 0.46046 2.00573
38 4B7E OGA 0.008193 0.4199 2.00573
39 3CEV ARG 0.0002721 0.47134 2.00669
40 4BAS GNP 0.0002493 0.43073 2.01005
41 2PV7 NAD 0.0001252 0.45018 2.01342
42 1LYX PGA 0.002504 0.41691 2.01613
43 1R37 ETX 0.006581 0.42982 2.01729
44 4DVE BTN 0.0002977 0.46346 2.0202
45 3WLE NAD 0.0001851 0.40464 2.05279
46 3QDW A2G 0.002762 0.46969 2.0979
47 3QDV A2G 0.002796 0.46942 2.0979
48 3QDY A2G GAL 0.005172 0.44797 2.0979
49 3QDW NDG 0.003937 0.44663 2.0979
50 3QDV NDG 0.004624 0.4433 2.0979
51 3QDX A2G GAL 0.007157 0.44099 2.0979
52 3QDY CBS 0.00698 0.43479 2.0979
53 3QDT A2G GAL 0.01007 0.43366 2.0979
54 3QDX CBS 0.01523 0.41862 2.0979
55 3LTW HLZ 0.003001 0.44546 2.14286
56 4E28 9MZ 0.001983 0.45371 2.15385
57 4E28 0MZ 0.003096 0.43864 2.15385
58 4USS GSH 0.006077 0.42033 2.15385
59 1Y1A GSH 0.02659 0.43452 2.18579
60 1KYQ NAD 0.00003185 0.51985 2.18978
61 1NX4 AKG 0.009745 0.41655 2.1978
62 3OA2 NAD 0.0005314 0.42044 2.20126
63 1P77 ATR 0.001541 0.47325 2.20588
64 3ICV NAG 0.007152 0.47188 2.21519
65 3IHB TRS 0.00004166 0.64656 2.23464
66 1V59 NAD 0.0001495 0.50616 2.23464
67 1FDJ G3P 0.001286 0.50261 2.23464
68 3CQ5 PMP 0.0001682 0.48 2.23464
69 1GJW GLC 0.0009787 0.47534 2.23464
70 2IXB NAD 0.00006196 0.44349 2.23464
71 1QZZ SAM 0.0006637 0.4388 2.23464
72 3ABI NAD 0.0001715 0.43232 2.23464
73 3CL5 SIO 0.01098 0.42542 2.23464
74 3L24 GOA 0.02041 0.42491 2.23464
75 1E5Q NDP 0.0004938 0.42251 2.23464
76 1Y42 TYR 0.005701 0.42152 2.23464
77 1FDJ 13P 0.01279 0.41131 2.23464
78 3IHB GLU 0.02392 0.40924 2.23464
79 3S5W NAP 0.0117 0.40692 2.23464
80 2IXB A2G 0.00009913 0.40542 2.23464
81 1GJW MAL 0.008613 0.40463 2.23464
82 2GV8 NDP 0.00437 0.4034 2.23464
83 4G10 GSH 0.004985 0.40157 2.26415
84 3MAG SAH 0.0001741 0.44043 2.28013
85 3UBW 6SP 0.0000311 0.61664 2.29885
86 3LST SAH 0.002897 0.41451 2.29885
87 1YJQ NAP 0.0006596 0.40008 2.31023
88 3H9E NAD 0.0001448 0.45246 2.31214
89 3UDG TMP 0.0006578 0.5017 2.32558
90 3MCT SAH 0.0001049 0.44321 2.3569
91 3MCT 3MC 0.00692 0.41791 2.3569
92 3SBZ MLI 0.01176 0.43729 2.38095
93 3L4S NAD 0.0004099 0.41074 2.38095
94 3L4S 3PG 0.0004271 0.40592 2.38095
95 4BCS BTN 0.003541 0.40707 2.4
96 4KGM ATP 0.002981 0.41848 2.44898
97 4JEJ 1GP 0.0003187 0.4564 2.45902
98 1XE7 GUN 0.002719 0.47004 2.46305
99 1YRX FMN 0.005701 0.40333 2.47934
100 3ZPG 5GP 0.000636 0.50245 2.51397
101 4EIP K2C 0.002323 0.43519 2.51397
102 3EF0 ALF 0.01093 0.43399 2.51397
103 2EFJ 37T 0.003005 0.43345 2.51397
104 1EBF NAD 0.0008504 0.43202 2.51397
105 4EIP FAD 0.002555 0.43157 2.51397
106 3ZGE ASP 0.0132 0.42783 2.51397
107 1UP7 NAD 0.0009094 0.42754 2.51397
108 4KCT FDP 0.002524 0.42131 2.51397
109 3AYS CT3 0.005578 0.41224 2.51397
110 1F8F NAD 0.002361 0.41116 2.51397
111 4KCT PYR 0.00768 0.41115 2.51397
112 1GSA ADP 0.0007574 0.41091 2.53165
113 1O68 KIV 0.001149 0.45134 2.54545
114 2DVZ GLU 0.002712 0.42485 2.54777
115 3TXO 07U 0.001378 0.42676 2.54958
116 1X7D NAD 0.0004096 0.42465 2.57143
117 1GUZ NAD 0.001226 0.4075 2.58065
118 1GV0 NAD 0.001539 0.40006 2.58065
119 1QH9 LAC 0.002169 0.45192 2.58621
120 1KHT AMP 0.001108 0.44606 2.60417
121 2EB5 OXL 0.001665 0.45718 2.62172
122 4M37 SAH 0.008949 0.40229 2.62391
123 1LLU NAD 0.0003228 0.40633 2.63158
124 1QR0 COA 0.008644 0.40457 2.63158
125 6FIV 3TL 0.001981 0.42078 2.65487
126 3V1Y NAD 0.000121 0.45561 2.67062
127 3T95 PAV 0.03808 0.40012 2.68657
128 1TO9 HMH 0.00353 0.44223 2.69231
129 1EYQ NAR 0.005858 0.41604 2.7027
130 2OWZ CIT 0.003228 0.44401 2.71084
131 2OWZ F6P 0.0008985 0.42454 2.71084
132 2Q8M AMP 0.004573 0.41122 2.71084
133 3SIX GDP 0.0077 0.40236 2.72727
134 3F81 STT 0.004382 0.45938 2.73224
135 3PXP MYR 0.003773 0.40216 2.73973
136 1NML CIT 0.002707 0.43539 2.76074
137 1SJW NGV 0.004031 0.40499 2.77778
138 1Y7I SAL 0.0003859 0.47161 2.7933
139 4M5P MLA 0.003991 0.47035 2.7933
140 1O0S NAI 0.0008077 0.43641 2.7933
141 2Q8H TF4 0.01259 0.43576 2.7933
142 2NCD ADP 0.004409 0.43184 2.7933
143 4M2K PLP 0.005693 0.41655 2.7933
144 4C6F NCD 0.005611 0.41214 2.7933
145 4C6F DOR 0.005611 0.41214 2.7933
146 4M5P FMN 0.001107 0.40924 2.7933
147 2R42 FPS 0.001496 0.40862 2.7933
148 2VQO TFG 0.0258 0.40497 2.7933
149 2I3G NAP 0.0007173 0.40834 2.84091
150 3EGI ADP 0.02829 0.40697 2.91262
151 3VPQ GSH 0.01347 0.4103 2.94118
152 2C4I BTN 0.002832 0.41065 2.95203
153 1Z42 HBA 0.008724 0.46431 2.95858
154 1Z44 NPO 0.03215 0.42915 2.95858
155 1Z44 FMN 0.004981 0.40556 2.95858
156 2VDJ HSE 0.008455 0.43741 2.99003
157 2Y6P CTP 0.003225 0.42183 2.99145
158 2VWT PYR 0.01044 0.42647 2.99625
159 3UIE ANP 0.002746 0.42464 3
160 3UIE ADX 0.001937 0.42115 3
161 2FGQ MLT 0.01528 0.41298 3.01205
162 3QP6 HL6 0.005584 0.40368 3.01887
163 1G0V NAG 0.0007738 0.5342 3.03951
164 4WX0 HXD 0.004234 0.4042 3.04183
165 2HJR APR 0.002006 0.4202 3.04878
166 1M1B SPV 0.01862 0.40403 3.05085
167 4C1K PEP 0.003618 0.42999 3.05344
168 3D2Y AH0 ALA FGA LYS 0.0002342 0.44066 3.06513
169 4OJ8 AKG 0.002097 0.40363 3.07167
170 1WDK NAD 0.0000103 0.51407 3.07263
171 3FKQ ATP 0.0006069 0.43066 3.07263
172 2F2U M77 0.002249 0.42813 3.07263
173 1VJT NAD 0.005319 0.41214 3.07263
174 1ZMD NAI 0.002233 0.41212 3.07263
175 2Q09 DI6 0.008775 0.40874 3.07263
176 2HGS GSH 0.004127 0.40867 3.07263
177 3O2K DST 0.01202 0.4076 3.07263
178 2HGS ADP 0.001128 0.40531 3.07263
179 2JFV FLC 0.001374 0.461 3.09278
180 2G30 ALA ALA PHE 0.003882 0.40179 3.10078
181 2HFK E4H 0.005506 0.42217 3.1348
182 1NVT NAP 0.001817 0.41875 3.13589
183 3WCS MAN NAG GAL 0.001973 0.43042 3.14961
184 3WCS MAN NAG 0.004545 0.42574 3.14961
185 2B4R AES 0.0001388 0.43571 3.18841
186 2B4R NAD 0.0001745 0.42706 3.18841
187 2J0B UDP 0.02001 0.41925 3.21429
188 4OB6 S2T 0.004939 0.40172 3.22581
189 1FW1 GSH 0.001103 0.43042 3.24074
190 2ALG HP6 0.001667 0.40334 3.26087
191 2ALG DAO 0.001667 0.40334 3.26087
192 2Q37 3AL 0.001758 0.44951 3.31492
193 4JP3 CIT 0.001264 0.43304 3.34728
194 2ZWS PLM 0.001285 0.50811 3.35196
195 1KTC NGA 0.0008473 0.45699 3.35196
196 4RJK PYR 0.01265 0.42874 3.35196
197 3T1A 5MA 0.0007133 0.42376 3.35196
198 1HKU NAD 0.0002263 0.42279 3.35196
199 3B9Z CO2 0.01949 0.4081 3.35196
200 4HPP GLU 0.02877 0.40463 3.35196
201 1LJ8 NAD 0.006275 0.40279 3.35196
202 1M2W NAD 0.005902 0.40096 3.35196
203 3BHO B4P 0.02774 0.42493 3.36538
204 1BW9 NAD 0.0007407 0.4416 3.37079
205 1BXG NAD 0.00093 0.42168 3.37079
206 1C1X NAD 0.00119 0.41746 3.38028
207 3K56 IS3 0.006587 0.40094 3.38346
208 1R6W 164 0.002289 0.41406 3.41615
209 4EXO PYR 0.000123 0.52806 3.42466
210 3H8V ATP 0.00005267 0.5045 3.42466
211 3O03 GCO 0.002952 0.4682 3.43643
212 3O03 NAP 0.00009956 0.42088 3.43643
213 3CBG 4FE 0.005771 0.46174 3.44828
214 3GJB AKG 0.003614 0.42476 3.44828
215 3IO3 ADP 0.001894 0.40892 3.44828
216 3CBG FER 0.04362 0.40771 3.44828
217 1T3D CYS 0.003021 0.45209 3.46021
218 3L6R MLI 0.0002783 0.50126 3.46821
219 3EJ0 11X 0.03791 0.40416 3.57143
220 1DSS NAD 0.00009763 0.46583 3.6036
221 4LXH C1E 0.001902 0.41284 3.61011
222 1A8R GTP 0.001581 0.4078 3.61991
223 2XDQ MGX 0.001174 0.48878 3.63128
224 2CDU ADP 0.0001931 0.48439 3.63128
225 1RYD GLC 0.003814 0.44069 3.63128
226 1MV8 NAD 0.0003927 0.43586 3.63128
227 1K6M AGS 0.001555 0.40434 3.63128
228 3PLN U5P 0.01557 0.40277 3.63128
229 3A2Q ACA ACA 0.004019 0.40117 3.63128
230 1GAD NAD 0.0001622 0.45054 3.63636
231 1ZGA HMK 0.007409 0.40301 3.64146
232 1OIK AKG 0.005199 0.43452 3.65448
233 1T0I FMN 0.001512 0.41235 3.66492
234 4NAO AKG 0.0227 0.41033 3.68098
235 1IS3 LAT 0.00253 0.45575 3.7037
236 3P7I P7I 0.003659 0.42978 3.73832
237 5D63 FUC GLA GLA 0.003995 0.43977 3.75427
238 1A5V Y3 0.003443 0.43659 3.79747
239 2VAR AMP 0.001249 0.43841 3.83387
240 2VAR KDG 0.003478 0.41586 3.83387
241 2VAR KDF 0.006683 0.40477 3.83387
242 4L8V NAP 0.0007966 0.40859 3.85757
243 4U9W SER GLY ARG GLY LYS NH2 0.01608 0.40936 3.86473
244 4BI7 PGA 0.006654 0.41374 3.89105
245 4KOA NDP 0.00205 0.43789 3.9039
246 2IZ1 ATR 0.000277 0.51491 3.91061
247 1PDZ PGA 0.005685 0.44594 3.91061
248 1JIL 485 0.0001978 0.43854 3.91061
249 1L7E NAI 0.005349 0.40271 3.91061
250 2YCD GTB 0.007778 0.40219 3.91304
251 2GLX NDP 0.003596 0.40681 3.91566
252 2YDW WSH 0.006643 0.40918 3.92157
253 4MGB XDH 0.01297 0.40148 3.92157
254 2GCG NDP 0.001026 0.40995 3.93939
255 2D2I NAP 0.001024 0.42878 3.94737
256 1YS4 NAP 0.0005574 0.44677 3.9548
257 4A3X LAT 0.00009306 0.5453 3.96476
258 1FP2 SAH 0.001744 0.42288 3.97727
259 2Q3M MLA 0.005667 0.45363 3.98773
260 3SHR CMP 0.003226 0.42182 4.01338
261 1ZZ7 S0H 0.01144 0.40852 4.0404
262 3JV7 NAD 0.0002582 0.4276 4.05797
263 2RHQ GAX 0.0004052 0.41971 4.08163
264 1XVA SAM 0.002578 0.40057 4.10959
265 1LDN NAD 0.0002785 0.42064 4.11392
266 1NU4 MLA 0.03995 0.41629 4.12371
267 1R5A GTS 0.005469 0.41728 4.12844
268 3FW3 GLC 0.03984 0.4348 4.13534
269 1RM4 NDP 0.001884 0.41813 4.1543
270 1FBL HTA 0.001388 0.43656 4.18994
271 3V1U NAD 0.0001401 0.42244 4.18994
272 3IHG FAD 0.0007677 0.41555 4.18994
273 2ZYF AKG 0.00825 0.40985 4.18994
274 4IOK XPO 0.0006605 0.40914 4.18994
275 3B96 MYA 0.002271 0.40244 4.18994
276 3GD4 NAD 0.005789 0.4013 4.18994
277 4JCA CIT 0.01106 0.44653 4.19162
278 3RKR NAP 0.002069 0.42959 4.19847
279 1ZQ9 SAM 0.0009703 0.44836 4.21053
280 1JN2 SFP 0.01456 0.46931 4.21941
281 3VYW SAM 0.007793 0.40181 4.22078
282 1JH7 UVC 0.01413 0.40938 4.2328
283 1QB7 ADE 0.005913 0.41122 4.23729
284 2NW9 FT6 0.01403 0.40951 4.24837
285 3FXU TSU 0.00006416 0.4368 4.2623
286 3FPZ AHZ 0.00007078 0.48338 4.29448
287 2XI7 XI7 0.0007005 0.52292 4.34783
288 1NF8 ISC 0.002624 0.42065 4.34783
289 2A92 NAI 0.00103 0.40092 4.36137
290 2YYY NAP 0.0005773 0.42022 4.37318
291 4K30 NLG 0.006235 0.41985 4.375
292 3WUC GLC GAL 0.009626 0.42223 4.37956
293 1QRD DQN 0.01935 0.41957 4.3956
294 1R18 SAH 0.001245 0.40392 4.40529
295 2G36 TRP 0.01425 0.40922 4.41176
296 3B20 NAD 0.001218 0.42575 4.42478
297 3GEG NAD 0.00004211 0.42806 4.45344
298 4L6C 0BT 0.0005954 0.4143 4.45545
299 2F59 INI 0.001829 0.40946 4.4586
300 4EPL JAI 0.003075 0.40933 4.46927
301 4DPL NAP 0.001504 0.40201 4.46927
302 2CVZ NDP 0.000757 0.42572 4.49827
303 1WP4 NDP 0.0006233 0.42381 4.49827
304 1JAC AMG 0.0006032 0.51438 4.51128
305 4E5N NAD 0.0003165 0.41863 4.54545
306 1SQ5 PAU 0.008429 0.41423 4.54545
307 1SQ5 ADP 0.004956 0.40985 4.54545
308 1SOW OXL 0.01328 0.43456 4.57317
309 1SOW NAD 0.0007477 0.40383 4.57317
310 3DXY SAM 0.009272 0.41922 4.58716
311 1EYE PMM 0.00554 0.40796 4.64286
312 1WTC ACP 0.01443 0.41975 4.64396
313 1X8X TYR 0.0003476 0.46075 4.65839
314 2CW6 3HG 0.01558 0.43097 4.69799
315 1II5 GLU 0.001182 0.45714 4.72103
316 2DT5 NAD 0.0001199 0.4443 4.73934
317 1Y8Q ATP 0.00009159 0.47096 4.7486
318 1DJN ADP 0.0002206 0.45951 4.7486
319 1H16 PYR 0.003496 0.45637 4.7486
320 1H16 DTL 0.008816 0.44375 4.7486
321 2O4C NAD 0.00006679 0.44179 4.7486
322 1VI2 NAD 0.001458 0.42931 4.7486
323 1O6Z NAD 0.001532 0.42173 4.7486
324 2JC9 ADN 0.01199 0.40765 4.7486
325 3NKS ACJ 0.003697 0.40637 4.7486
326 2BH9 NAP 0.01518 0.40165 4.7486
327 1F74 NAY 0.001393 0.42203 4.77816
328 3KB6 NAD 0.000527 0.42562 4.79042
329 2OI2 DP6 0.001739 0.42763 4.79452
330 3I7S PYR 0.0221 0.41669 4.79452
331 2YBQ SAH 0.001455 0.40903 4.79452
332 4K28 NAD 0.0000762 0.47008 4.83271
333 1HYH NAD 0.0003703 0.41591 4.85437
334 4TSK NDP 0.0003597 0.43784 4.85714
335 2GDZ NAD 0.0002044 0.40057 4.86891
336 1WNG SAH 0.001218 0.41166 4.90566
337 3ZF8 GDP 0.004686 0.41529 4.91803
338 1O94 ADP 0.0001724 0.45992 4.92424
339 1F1V DHY 0.002249 0.4333 4.95356
340 4A6F SEP 0.01999 0.43264 5
341 4MP8 MLI 0.000001484 0.4216 5.01475
342 3Q3C NAD 0.0007415 0.43442 5.01672
343 4JK3 NAD 0.00009069 0.4603 5.01931
344 2A2X NA9 0.0007527 0.42294 5.01931
345 3ICS ADP 0.000228 0.49728 5.02793
346 3ICT ADP 0.0002731 0.49348 5.02793
347 4WBD ADP 0.000536 0.48775 5.02793
348 1VBH PEP 0.0004808 0.47443 5.02793
349 3CIF NAD 0.0001043 0.44579 5.02793
350 4CIB 7UZ 0.002413 0.44343 5.02793
351 1WDA BAG 0.001826 0.43706 5.02793
352 4WBD CIT 0.011 0.43175 5.02793
353 4M51 BEZ 0.01353 0.42729 5.02793
354 3PC3 P1T 0.0005901 0.41831 5.02793
355 3A1I UNU 0.004148 0.41742 5.02793
356 2ZJ5 ADP 0.01558 0.40748 5.02793
357 3CIF G3H 0.0002023 0.405 5.02793
358 5YAS FAC 0.003893 0.41854 5.05837
359 4BT5 23B 0.006811 0.41332 5.05837
360 3TW1 AHN 0.01901 0.41661 5.06329
361 1NVM NAD 0.00007715 0.44073 5.12821
362 3IB8 AMP 0.006855 0.40029 5.15152
363 2WE5 ADP 0.001436 0.42607 5.16129
364 3TKA CTN 0.003838 0.49909 5.18732
365 3TKA SAM 0.0009408 0.41159 5.18732
366 3PNA CMP 0.004813 0.41958 5.19481
367 3NFZ 3NF 0.0009764 0.43742 5.19878
368 1NZY BCA 0.0001846 0.40957 5.20446
369 2NU8 COA 0.001047 0.41977 5.20833
370 3K3K A8S 0.002648 0.40017 5.21327
371 2X2T GAL NGA 0.0006807 0.50094 5.22876
372 4AF5 CIT 0.007396 0.42749 5.26316
373 3EE4 MYR 0.0006087 0.41787 5.26316
374 1VE3 SAM 0.0004757 0.42557 5.28634
375 1LVL NAD 0.000472 0.45376 5.30726
376 4DYO SD4 0.0007227 0.45376 5.30726
377 1GR0 NAD 0.000038 0.43397 5.30726
378 3DG6 MUC 0.00451 0.4072 5.30726
379 3VPD BUA 0.0008958 0.52235 5.33808
380 3VPD CIT 0.02041 0.43217 5.33808
381 1Y7P RIP 0.007459 0.4401 5.38117
382 3GRU AMP 0.003253 0.41159 5.42373
383 1CER NAD 0.0002122 0.44616 5.43807
384 1CKN GTP 0.0007497 0.4531 5.45455
385 1CKM GTP 0.003949 0.42315 5.45455
386 4FGC PQ0 0.02094 0.40175 5.45455
387 1QD0 RR6 0.003776 0.41447 5.46875
388 1B8U NAD 0.00534 0.40883 5.47112
389 2Q2V NAD 0.00001813 0.41578 5.4902
390 1ECM TSA 0.0009076 0.44965 5.50459
391 1Q3P GLU ALA GLN THR ARG LEU 0.002418 0.432 5.50459
392 4IXW IXW 0.002537 0.43114 5.51181
393 4LFL TG6 0.0008168 0.44583 5.55556
394 2W3L DRO 0.03056 0.41579 5.55556
395 4E13 NAD 0.00000762 0.5301 5.58659
396 4CCO OGA 0.000963 0.45461 5.58659
397 1Z45 GAL 0.003267 0.43189 5.58659
398 4A6D SAM 0.0008937 0.41624 5.58659
399 3R51 MMA 0.001181 0.48865 5.625
400 1YOA FMN 0.01543 0.44728 5.66038
401 1SC3 MLI 0.00252 0.46339 5.68182
402 2VYN NAD 0.0001601 0.43866 5.68862
403 2F1K NAP 0.000015 0.49058 5.73477
404 1H2M OGA 0.01492 0.41347 5.76923
405 1HQL GLA MBG 0.001464 0.46704 5.83658
406 3GTD MLI 0.002378 0.44371 5.86592
407 1NOW IFG 0.001733 0.44369 5.86592
408 1SC6 NAD 0.0001513 0.42463 5.86592
409 3M6W SAM 0.001217 0.42419 5.86592
410 1OBB NAD 0.001697 0.41995 5.86592
411 1CDO NAD 0.001402 0.41476 5.86592
412 3KPE TM3 0.007975 0.42599 5.88235
413 1OMO NAD 0.0002531 0.4532 5.90062
414 1NPD NAD 0.002237 0.41511 5.90278
415 3EW2 BTN 0.01109 0.4045 5.92593
416 1V84 GAL NDG 0.03743 0.40051 5.92885
417 1MZV AMP 0.005666 0.41197 5.95745
418 4Q3F TLA 0.005278 0.43422 5.98291
419 2WOR 2AN 0.004808 0.43608 6
420 1ULE GLA GAL NAG 0.01953 0.41937 6
421 3OZG SSI 0.002 0.41623 6
422 2DFV NAD 0.00005049 0.46326 6.05187
423 1XHL TNE 0.009308 0.4229 6.06061
424 1I36 NAP 0.003641 0.40958 6.06061
425 2AJH MET 0.03172 0.40537 6.12245
426 1GEE NAD 0.0001008 0.40338 6.13027
427 1JAY NAP 0.002344 0.42069 6.13208
428 3SQG COM 0.005293 0.46376 6.14525
429 2J0W ASP 0.006747 0.4355 6.14525
430 3DDN HPV 0.0186 0.41801 6.14525
431 2J0W ADP 0.002552 0.40826 6.14525
432 1WVG APR 0.0005896 0.40366 6.14525
433 3U1T MLI 0.007495 0.43332 6.14887
434 1U3I GSH 0.02074 0.40194 6.16114
435 2HK9 ATR 0.001614 0.46112 6.18182
436 2HK9 NAP 0.001578 0.41293 6.18182
437 1S8F GDP 0.0002339 0.41118 6.21469
438 2JBH 5GP 0.001188 0.44481 6.22222
439 2B7N NTM 0.006727 0.4237 6.22711
440 3GFB NAD 0.0002796 0.43593 6.28571
441 4N7U 2JA 0.02005 0.42531 6.31579
442 3BY8 MLT 0.006049 0.43775 6.33803
443 3JQM GTP 0.01408 0.40018 6.36943
444 4B16 NAG 0.001017 0.50221 6.39098
445 2G5C NAD 0.00003216 0.45935 6.40569
446 1E4E PHY 0.003882 0.40559 6.41399
447 2YIV YIV 0.002275 0.46558 6.42458
448 2YIV NBN 0.005389 0.44014 6.42458
449 3A8U PLP 0.007859 0.4207 6.42458
450 4J7H TLO 0.000924 0.41983 6.42458
451 4UAL 3FV 0.002055 0.41164 6.42458
452 2DKH FAD 0.0003917 0.40641 6.42458
453 1FP1 SAH 0.00498 0.40159 6.42458
454 4NES UDP 0.004269 0.40023 6.42458
455 2AOT SAH 0.005052 0.42388 6.50685
456 1XX4 BAM 0.01516 0.40559 6.51341
457 1JGS SAL 0.006392 0.46889 6.52174
458 2QV7 ADP 0.002903 0.41025 6.52819
459 1SS4 GSH 0.0003647 0.54534 6.53595
460 1SS4 CIT 0.001488 0.48555 6.53595
461 4K7O EKZ 0.004969 0.44182 6.54762
462 1HFA PIO 0.0006256 0.52017 6.57439
463 1BTN I3P 0.003559 0.48584 6.60377
464 3TN7 NJP 0.0001272 0.40217 6.61479
465 2FOI JPA 0.005226 0.41338 6.69145
466 1AX2 NDG GAL 0.002359 0.43795 6.69456
467 3KMT SAH 0.0004629 0.44473 6.72269
468 3DCM SAM 0.0005052 0.42468 6.77083
469 1CF2 NAP 0.0003389 0.43902 6.82493
470 2QGI UDP 0.001343 0.4547 6.85484
471 1OGD RIP 0.007334 0.41683 6.87023
472 3B1F NAD 0.00007938 0.48213 6.89655
473 1G8S MET 0.0006807 0.47497 6.95652
474 3EYK EYK 0.01209 0.41768 6.97674
475 3E4O SIN 0.00738 0.42191 6.98324
476 1KYZ SAH 0.0008176 0.42168 6.98324
477 2Q28 ADP 0.0006863 0.42015 6.98324
478 3E6J DR2 0.03617 0.41521 6.9869
479 1GVF PGH 0.001528 0.44603 6.99301
480 3DX5 DHB 0.001731 0.4327 6.99301
481 2XRH NIO 0.01018 0.42698 7
482 3BAZ NAP 0.001366 0.42055 7.20721
483 1UAY ADN 0.001196 0.4291 7.26257
484 4WVH ASP HIS ASP ALA HIS ALA 0.003403 0.42584 7.26257
485 4DMG SAM 0.01389 0.41067 7.26257
486 1F8G NAD 0.005205 0.40619 7.26257
487 1T57 FMN 0.0008119 0.40994 7.28155
488 1H2K OGA 0.01321 0.41589 7.31707
489 3QV1 NAD 0.001175 0.40721 7.31707
490 1B5E DCM 0.01053 0.40544 7.31707
491 2Y7P SAL 0.001342 0.44845 7.33945
492 1C3V PDC 0.0002464 0.48727 7.34694
493 4N7C AEF 0.01693 0.41643 7.38636
494 2OOR NAD 0.005605 0.40484 7.47126
495 1I9G SAM 0.006513 0.40514 7.5
496 1A5Z NAD 0.0005292 0.44771 7.52351
497 9LDB OXM 0.01795 0.43518 7.53012
498 9LDT OXM 0.02008 0.43255 7.53012
499 9LDB NAD 0.0005578 0.40914 7.53012
500 9LDT NAD 0.0005831 0.40698 7.53012
501 2W8Q SIN 0.001484 0.46676 7.5419
502 2PUL ACP 0.002071 0.41566 7.5419
503 2FH5 GTP 0.002404 0.4016 7.56757
504 4F8L GAL 0.01297 0.45154 7.58621
505 2HVW DDN 0.006517 0.40112 7.6087
506 1Y75 NAG 0.005528 0.41709 7.62712
507 2ZE3 AKG 0.00412 0.43314 7.63636
508 2HMT NAI 0.0005577 0.44675 7.63889
509 2Q0L NAP 0.005826 0.421 7.71704
510 2F7C CCU 0.00693 0.42313 7.72532
511 4WNB 4BN 0.003158 0.40493 7.75194
512 3O7B SAH 0.0009325 0.41969 7.78689
513 3UWB BB2 0.01273 0.41665 7.79221
514 1Y9Q MED 0.01015 0.42117 7.8125
515 2I4O ATP 0.004508 0.41597 7.82123
516 4IHQ ADP 0.01011 0.40617 7.82123
517 1LTH NAD 0.0005456 0.43978 7.83699
518 2YLD CMO 0.0147 0.41377 7.87402
519 1ZJ6 G3D 0.003768 0.41451 8.02139
520 3WKX FUB 0.001801 0.45563 8.10056
521 4B9E FAH 0.002777 0.45383 8.10056
522 1Q11 TYE 0.002654 0.43576 8.10056
523 1NVV GNP 0.0004097 0.40842 8.10056
524 1HDG NAD 0.0004438 0.43985 8.13253
525 2Q1A 2KT 0.0006103 0.47714 8.19113
526 3UEC ALA ARG TPO LYS 0.003677 0.44804 8.21918
527 1H8P PC 0.04187 0.40864 8.25688
528 2QLX RM4 0.001352 0.46867 8.33333
529 2DWU DGL 0.00163 0.43911 8.33333
530 4O8A 2OP 0.004289 0.45986 8.37989
531 1DXY NAD 0.00009966 0.4587 8.40841
532 1DXY COI 0.009626 0.44178 8.40841
533 2I6U CP 0.01547 0.42081 8.46906
534 4C2G ALA ALA ALA ALA 0.003709 0.42429 8.52018
535 1P1C SAH 0.001629 0.42391 8.54271
536 4CCN OGA 0.01288 0.41641 8.57143
537 3RK0 AMP 0.0012 0.43393 8.65922
538 2CE7 ADP 0.004433 0.40749 8.65922
539 4G28 0W8 0.01316 0.4014 8.72483
540 1EB9 HBA 0.004147 0.41288 8.77863
541 1ZUW DGL 0.002202 0.43369 8.82353
542 1ZH8 NAP 0.0007585 0.42001 8.82353
543 1RZM PEP 0.001052 0.45297 8.87574
544 1RZM E4P 0.007833 0.43241 8.87574
545 1POC GEL 0.002489 0.40865 8.95522
546 3RFV NAI 0.0001523 0.41067 8.98876
547 3RFV 15L 0.0002993 0.40742 8.98876
548 1WHT BZS 0.00101 0.46713 9.15033
549 1QDS PGA 0.00352 0.4203 9.16335
550 1X14 NAD 0.0002591 0.4786 9.21788
551 1RYI GOA 0.008589 0.46245 9.21788
552 2PTZ PAH 0.001411 0.42181 9.21788
553 1YFZ IMP 0.01333 0.4105 9.26829
554 3VPH NAD 0.0005356 0.40229 9.35484
555 1C1L GAL BGC 0.004567 0.44356 9.48905
556 1A59 CIT 0.003832 0.44718 9.49721
557 1YBH P22 0.001517 0.43501 9.49721
558 3ULK NDP 0.0003289 0.42264 9.49721
559 1A59 COA 0.002769 0.40316 9.49721
560 1YAG ATP 0.001118 0.40193 9.49721
561 2QCX PF1 0.003598 0.43575 9.5057
562 3KYF 5GP 5GP 0.004635 0.41548 9.52381
563 5RHN 8BR 0.001659 0.41923 9.56522
564 2FR6 CTN 0.001411 0.4134 9.58904
565 3CH5 GDP 0.00251 0.4214 9.61539
566 4COQ SAN 0.005384 0.43382 9.7166
567 1EZ4 NAD 0.0001544 0.45162 9.74843
568 3OJO NAD 0.00009328 0.47484 9.77654
569 3K5X P8D 0.000485 0.45493 9.77654
570 2VQ5 HBA 0.006126 0.43749 9.95025
571 2VQ5 LDP 0.02951 0.41658 9.95025
572 1MXI SAH 0.002844 0.40275 10
573 3QV9 QV7 0.009744 0.41655 10.0559
574 1PL6 NAD 0.0004555 0.45441 10.1124
575 1P72 THM 0.001925 0.44173 10.1796
576 1QO0 BMD 0.001853 0.45506 10.2041
577 4GO7 THR 0.005467 0.41259 10.5
578 3KJQ B94 0.002862 0.41917 10.5263
579 3UCJ AZM 0.01036 0.40573 10.5727
580 1P9B HDA 0.004601 0.43101 10.6145
581 3CF6 SP1 0.001255 0.42369 10.6145
582 3W2W ATP 0.004855 0.4102 10.6145
583 1J5P NAD 0.001737 0.40601 10.6719
584 4JWX 1N4 0.002476 0.43705 10.7143
585 1X87 NAD 0.001437 0.42615 10.8939
586 2YVJ NAI 0.0009199 0.44938 11.0092
587 2VKL MLT 0.02086 0.43165 11.1111
588 1J49 NAD 0.0002792 0.43017 11.1111
589 2W1A TSA 0.002249 0.42813 11.1111
590 3RF4 FUN 0.002604 0.43611 11.2069
591 1Y2W NAG 0.01939 0.40821 11.2676
592 1VR0 3SL 0.0009137 0.44953 11.336
593 3B8I OXL 0.008755 0.452 11.4983
594 3I6B KDO 0.009438 0.41212 11.6667
595 4QED NAP 0.00003474 0.42156 11.6935
596 2IUW AKG 0.009782 0.40677 11.7647
597 3SJU NDP 0.0000726 0.40883 11.828
598 2WCI GSH 0.0225 0.40036 11.8519
599 2VHJ ADP 0.001474 0.40883 12.0846
600 2AG8 NAP 0.000009822 0.5254 12.1673
601 2BZ1 TAU 0.0004182 0.53551 12.2449
602 1T0S BML 0.007691 0.43944 12.7907
603 4II2 ATP 0.00004725 0.49634 12.8492
604 2P69 PLP 0.01043 0.41525 12.8492
605 3SSO SAH 0.00543 0.40852 12.8492
606 2WCV FUC 0.002448 0.43177 12.8571
607 3JQ3 ADP 0.009015 0.40383 13.1285
608 1TRD PGH 0.002423 0.422 13.2
609 3NCQ ATP 0.001183 0.40829 13.4454
610 1MQ0 BRD 0.002769 0.41525 13.5714
611 3W8S GSH 0.005714 0.42684 13.5922
612 2YD6 FLC 0.0006043 0.53584 13.6792
613 1GQ2 NAP 0.001729 0.40238 13.6872
614 1N9L FMN 0.003015 0.40187 13.7615
615 1UUY PPI 0.0136 0.43403 13.7725
616 3RGG AIR 0.01011 0.40182 13.8365
617 1IM8 SAI 0.0002523 0.43057 13.9344
618 3GM5 CIT 0.001608 0.45787 14.4654
619 1GPJ CIT 0.001267 0.46261 14.5251
620 2R00 OEG 0.002046 0.46014 14.5833
621 2NZU BG6 0.00284 0.4345 14.7727
622 3TFC PEP 0.002145 0.43972 14.8045
623 2ZSC BTN 0.001327 0.42738 14.8936
624 2C2A ADP 0.002171 0.41078 15.1163
625 3PNL ADP 0.0004539 0.41811 15.1659
626 1NME 159 0.00542 0.45463 15.2174
627 3SJ0 DXC 0.005028 0.44158 15.493
628 2V5E SCR 0.02759 0.42506 15.8416
629 2BOI MFU 0.001683 0.44423 15.9292
630 1PTR PRB 0.001276 0.46987 16
631 1VQ2 DDN 0.002515 0.40848 16.0622
632 2FYU FDN 0.003021 0.40183 17.284
633 1TUV VK3 0.003111 0.46704 17.5439
634 2OFE NAG 0.003947 0.44 17.6056
635 2OFD NGA 0.006807 0.42915 17.6056
636 1LSS NAD 0.002826 0.42062 17.8571
637 1I1Q TRP 0.001094 0.4463 18.75
638 1F5F DHT 0.00223 0.41036 21.9512
639 3S9K CIT 0.0004934 0.53862 22.8814
640 1NP0 NGT 0.003571 0.442 24.0664
641 1O9U ADZ 0.003279 0.46586 33.3333
642 2XUM OGA 0.02762 0.4011 40
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