Receptor
PDB id Resolution Class Description Source Keywords
2BJK 1.4 Å EC: 1.5.1.12 CRYSTAL ANALYSIS OF 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS WITH BOUND NAD AND CITRATE. THERMUS THERMOPHILUS 1-PYRROLINE-5-CARBOXYLATE DEHYROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS DELTA(1)- PYRROLINE-5-CARBOXYLATE DEHYDROGENASE. J.MOL.BIOL. V. 362 490 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1523;
B:1524;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FLC A:1518;
B:1518;
Invalid;
Invalid;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
MPD A:1520;
A:1521;
A:1522;
B:1520;
B:1522;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
MRD A:1519;
B:1519;
B:1521;
B:1523;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
NAD A:1517;
B:1517;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BJK 1.4 Å EC: 1.5.1.12 CRYSTAL ANALYSIS OF 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS WITH BOUND NAD AND CITRATE. THERMUS THERMOPHILUS 1-PYRROLINE-5-CARBOXYLATE DEHYROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS DELTA(1)- PYRROLINE-5-CARBOXYLATE DEHYDROGENASE. J.MOL.BIOL. V. 362 490 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2BHP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2EHQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2BJK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2BJA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2BHP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2EHQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2BJK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2BJA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BHP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2EHQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2BJK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2BJA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BJK; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2bjk.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BJK; Ligand: NAD; Similar sites found: 511
This union binding pocket(no: 2) in the query (biounit: 2bjk.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.004761 0.50719 None
2 1NU4 MLA 0.00248 0.45993 None
3 2YFT DQR 0.002525 0.44085 1.16279
4 4P87 4NP 0.002963 0.40782 1.24688
5 4B9E FAH 0.005273 0.46773 1.3289
6 2X1L ADN 0.03998 0.4044 1.35659
7 4KCT FDP 0.0051 0.43655 1.40281
8 4KCT PYR 0.04315 0.40336 1.40281
9 2Q09 DI6 0.04417 0.40289 1.44231
10 2NZ2 ASP 0.00009848 0.53075 1.45278
11 2NZ2 CIR 0.0001502 0.45084 1.45278
12 4WB7 ATP 0.02955 0.40193 1.48148
13 3K37 BCZ 0.0001292 0.40332 1.51134
14 3EJ0 11X 0.003461 0.46144 1.53061
15 2Q28 ADP 0.01309 0.40208 1.55039
16 3ZRR PXG 0.0139 0.40389 1.5625
17 4L1F COS 0.001382 0.42838 1.56658
18 4C2G ALA ALA ALA ALA 0.003489 0.45321 1.56951
19 1VHW ADN 0.004953 0.44755 1.58103
20 4LHM AZZ 0.003374 0.46486 1.59091
21 4NZ6 DLY 0.01686 0.42764 1.59744
22 2NVK NAP 0.005851 0.448 1.63934
23 4Q0A 4OA 0.0001297 0.48293 1.65563
24 2NCD ADP 0.01296 0.43668 1.66667
25 3IP5 ALA 0.02735 0.41927 1.68539
26 2JFV FLC 0.0018 0.48456 1.71821
27 1O0S NAI 0.001827 0.42408 1.74419
28 4M37 SAH 0.005944 0.41513 1.74927
29 2Z5Y HRM 0.002821 0.40312 1.75439
30 3WAS BGC BMA 0.001768 0.40176 1.79487
31 1KYQ NAD 0.01438 0.40937 1.82482
32 2ZWI C5P 0.002269 0.46491 1.87668
33 3KMZ EQO 0.002899 0.40813 1.8797
34 1N6B DMZ 0.000134 0.42076 1.90275
35 3PC3 P1T 0.0009854 0.44085 1.93798
36 4P4T GDP 0.01083 0.40834 1.94444
37 3MTW M3R 0.01823 0.40576 1.98511
38 3K3G MMU 0.0002787 0.51324 2.05882
39 1RZU ADP 0.03522 0.4002 2.06186
40 3AJ6 NGA 0.0181 0.42967 2.0979
41 1CBF SAH 0.002589 0.44041 2.10526
42 1GJW GLC 0.004355 0.472 2.13178
43 2BGM NAJ 0.00001497 0.41079 2.13178
44 1GJW MAL 0.02536 0.41013 2.13178
45 1Q3Q ANP 0.00003831 0.40011 2.13178
46 1F1V DHY 0.0194 0.41932 2.16718
47 2NLI LAC 0.000001112 0.43715 2.17391
48 2C5S AMP 0.008707 0.43518 2.17918
49 3UBM COA 0.01065 0.40054 2.19298
50 4M5P MLA 0.01151 0.47142 2.2113
51 4M5P FMN 0.005038 0.41459 2.2113
52 1J2Z SOG 0.0002924 0.47645 2.22222
53 2GWD GLU 0.02218 0.41666 2.22717
54 4UMA GZ3 0.01169 0.42841 2.2792
55 4C6F NCD 0.03905 0.40174 2.29008
56 4C6F DOR 0.03905 0.40174 2.29008
57 3P3N AKG 0.02993 0.4237 2.29226
58 2WA4 069 0.01235 0.42002 2.29226
59 4GLW NMN 0.03638 0.40582 2.29508
60 1E4E PHY 0.0162 0.40786 2.33236
61 1E4E ADP 0.01323 0.40495 2.33236
62 3OQJ 3CX 0.03931 0.40118 2.33463
63 3CEV ARG 0.01047 0.43154 2.34114
64 3I8P 840 0.01522 0.40898 2.34192
65 4PB2 5UD 0.001194 0.44554 2.35849
66 1Z44 NPO 0.03142 0.45387 2.36686
67 1Z48 FMN 0.00286 0.43864 2.36686
68 1Z44 FMN 0.007683 0.42491 2.36686
69 1Z41 FMN 0.008034 0.42034 2.36686
70 2GGH NLQ 0.0003729 0.41378 2.4
71 4KOA NDP 0.0013 0.44825 2.4024
72 1I0Z NAI 0.0003369 0.4294 2.4024
73 1QZZ SAM 0.007086 0.42638 2.40642
74 4U9W SER GLY ARG GLY LYS NH2 0.03876 0.41575 2.41546
75 4U9W COA 0.02059 0.40043 2.41546
76 2BJF DXC 0.0001052 0.41302 2.43161
77 1OF8 PEP 0.01028 0.43564 2.43243
78 1OF8 G3P 0.02282 0.40629 2.43243
79 4E28 9MZ 0.01878 0.43387 2.46154
80 4E28 0MZ 0.03093 0.41834 2.46154
81 3QPB R1P 0.03679 0.40267 2.48227
82 1T26 GBD 0.000004294 0.44754 2.48447
83 2F2U M77 0.004549 0.44319 2.48756
84 1FX8 BOG 0.01592 0.40491 2.4911
85 1F3L SAH 0.004162 0.41447 2.49221
86 4JP3 CIT 0.008628 0.42673 2.51046
87 1JWY GDP 0.01501 0.41179 2.51938
88 4OUJ LBT 0.02859 0.41013 2.51938
89 1ZGA SAH 0.01507 0.41518 2.52101
90 3VOZ 04A 0.004804 0.42567 2.53968
91 3HPF GAE 0.001135 0.40006 2.55754
92 4M51 BEZ 0.01796 0.44627 2.57611
93 1PX8 XYP 0.007252 0.44886 2.6
94 1WDI CIT 0.03961 0.4108 2.6087
95 1XX6 ADP 0.02516 0.41029 2.6178
96 1EB9 HBA 0.03331 0.40136 2.67176
97 4DYO SD4 0.01037 0.43171 2.68041
98 1XX4 BAM 0.0003381 0.50927 2.68199
99 2PV7 NAD 0.00386 0.4081 2.68456
100 1JQ5 NAD 0.001049 0.40234 2.7027
101 3A1I UNU 0.0009675 0.47283 2.71318
102 2FAH MLA 0.048 0.40389 2.71318
103 1CKM GTP 0.005254 0.44514 2.72727
104 3JQ3 ADP 0.005105 0.44098 2.73224
105 2PYU IMP 0.0395 0.41015 2.73973
106 4FUA PGH 0.0008775 0.42538 2.7907
107 4G87 UD1 0.00005875 0.40816 2.79441
108 1YFS ALA 0.01598 0.43756 2.7957
109 4G9N NGA 0.0209 0.4286 2.7972
110 2X1E X1E 0.005528 0.44575 2.80112
111 1HXD BTN 0.007218 0.42346 2.80374
112 3SJ0 DXC 0.007909 0.45867 2.8169
113 1NJR XYL 0.0008556 0.42265 2.8169
114 3MWL 8OX 0.02735 0.41725 2.89855
115 1ONX ASP 0.001385 0.41879 2.90698
116 3TY3 GGG 0.04453 0.40505 2.90698
117 1A59 CIT 0.0119 0.44953 2.91005
118 2EJU SAH 0.00102 0.4482 2.91005
119 1A59 COA 0.01414 0.40381 2.91005
120 2IVD ACJ 0.01991 0.41275 2.92887
121 1JN2 SFP 0.004962 0.51934 2.95359
122 1FNZ A2G 0.004013 0.41505 2.95359
123 1UOU CMU 0.01605 0.41147 2.95359
124 3I51 45C 0.007878 0.42844 2.96296
125 1MVQ MMA 0.0002863 0.42852 2.9661
126 1K6M AGS 0.006178 0.40825 3.00926
127 2PP3 LGT 0.01848 0.40889 3.01508
128 2J5S KTA 0.000264 0.47096 3.04183
129 1G8S MET 0.01931 0.43326 3.04348
130 4GZP G39 0.00004648 0.42753 3.05344
131 3ULK NDP 0.006742 0.40687 3.05499
132 1Y42 TYR 0.006648 0.44541 3.06122
133 2Z9V PXM 0.01968 0.42331 3.06122
134 4IMG NGF 0.01016 0.40628 3.07167
135 1X1T NAD 0.000007236 0.42868 3.07692
136 1H16 PYR 0.006499 0.46985 3.10078
137 4WBD ADP 0.009068 0.45561 3.10078
138 4Q3S X7A 0.0002432 0.44214 3.10078
139 4RJK PYR 0.02422 0.43929 3.10078
140 4RJK TPP 0.002672 0.40655 3.10078
141 2NXW TPP 0.001343 0.40535 3.10078
142 4QCK ASD 0.001097 0.42529 3.10881
143 4K30 NLG 0.01964 0.42334 3.125
144 2P2V CSF 0.000005236 0.42321 3.125
145 2HFK E4H 0.01643 0.42699 3.1348
146 1O9U ADZ 0.01283 0.46098 3.14286
147 2RHQ GAX 0.00818 0.40382 3.14465
148 1QDS PGA 0.006278 0.43701 3.18725
149 2YHW BM3 0.0006796 0.41988 3.207
150 2GN2 C5P 0.016 0.40483 3.21637
151 1E5F PLP 0.003527 0.43493 3.21782
152 3V0H I3P 0.04147 0.40738 3.24484
153 2DWU DGL 0.005573 0.44398 3.26087
154 4C81 CDP 0.001105 0.4409 3.26087
155 3ZF8 GDP 0.01296 0.42309 3.27869
156 1UF5 CDT 0.007051 0.43479 3.30033
157 2Q8M AMP 0.003302 0.44466 3.31325
158 1YHM AHD 0.01685 0.43116 3.31492
159 1LDM NAD 0.000004532 0.42786 3.34347
160 1V59 NAD 0.01318 0.42177 3.34728
161 4BG1 OGA 0.0009535 0.44138 3.35917
162 4BG1 IVL 0.0009535 0.44138 3.35917
163 3NFZ 3NF 0.01037 0.42329 3.36391
164 4BPM GSH 0.00009219 0.46178 3.37079
165 4J7H TRH 0.002891 0.427 3.39703
166 4J7H TLO 0.006817 0.41616 3.39703
167 1V8K ANP 0.001135 0.4102 3.41463
168 2FR6 CTN 0.00106 0.44754 3.42466
169 2FR6 URI 0.01445 0.40345 3.42466
170 3VGL ANP 0.00002302 0.44164 3.42679
171 3VGL BGC 0.002852 0.40297 3.42679
172 2Q8H TF4 0.01474 0.45764 3.4398
173 3D2Y AH0 ALA FGA LYS 0.002137 0.43573 3.44828
174 2GMV PEP 0.01239 0.42544 3.48837
175 1RHC F42 ACN 0.001214 0.41201 3.48837
176 2VAR ANP 0.0004577 0.45318 3.51438
177 2VAR AMP 0.00399 0.4457 3.51438
178 2VAR KDG 0.01033 0.42337 3.51438
179 1HYE NAP 0.003786 0.41287 3.51438
180 2VAR KDF 0.02207 0.40913 3.51438
181 2BII MTV 0.004843 0.40907 3.53774
182 1GV0 NAD 0.0006905 0.41966 3.54839
183 3U1T MLI 0.04808 0.41802 3.55987
184 2QV7 ADP 0.004351 0.43121 3.56083
185 2YP9 SIA CMO 0.001427 0.44877 3.57853
186 1B63 ANP 0.00162 0.42932 3.6036
187 1EYQ NAR 0.04798 0.40122 3.6036
188 1V6A TRE 0.01548 0.43295 3.61446
189 1T10 F6P 0.04574 0.41001 3.63636
190 1Y9Q MED 0.04815 0.41326 3.64583
191 3MD0 GDP 0.003459 0.45338 3.66197
192 4A8H PUW 0.0005183 0.42208 3.66197
193 1JQN DCO 0.000007674 0.4689 3.68217
194 4OHB 5HM 0.0152 0.409 3.68421
195 2VEZ ACO 0.002321 0.40583 3.68421
196 2VEZ G6P 0.001991 0.40529 3.68421
197 4LH7 NMN 0.03537 0.41116 3.71517
198 3R51 MMA 0.02241 0.44752 3.75
199 1A5Z FBP 0.003962 0.42181 3.76176
200 1A5Z NAD 0.00008285 0.40124 3.76176
201 2FH5 GTP 0.005227 0.41724 3.78378
202 1WDK NAD 0.003904 0.41912 3.84615
203 4IVG ANP 0.000007454 0.41132 3.87597
204 1HK8 DGT 0.0197 0.4012 3.87597
205 2Y7G AAE 0.01428 0.41012 3.90071
206 3MAG SAH 0.00007208 0.48775 3.90879
207 4MOB ADP 0.0003677 0.47245 3.91566
208 4N02 FNR 0.00002214 0.40318 3.92157
209 4L7I SAM 0.006253 0.42111 3.9312
210 2E1A MSE 0.004088 0.45009 4
211 1GU3 BGC BGC BGC BGC BGC 0.03215 0.41324 4.02685
212 1A8S PPI 0.0005275 0.48159 4.0293
213 3TI8 LNV 0.0002481 0.40839 4.05063
214 1W7J ADP BEF 0.002509 0.4369 4.06977
215 2XDQ MGX 0.003337 0.49337 4.10959
216 4EXO PYR 0.007368 0.46694 4.10959
217 1XVA SAM 0.008561 0.4091 4.10959
218 4F8L GAL 0.008185 0.48924 4.13793
219 1I1Q TRP 0.02596 0.41439 4.16667
220 1SQ5 PAU 0.01024 0.43662 4.22078
221 1SQ5 ADP 0.00958 0.42478 4.22078
222 2OFE NAG 0.02286 0.42958 4.22535
223 4JK3 NAD 0.0006217 0.42407 4.2471
224 1MZV AMP 0.005058 0.44116 4.25532
225 2RI1 GLP 0.03047 0.41391 4.25532
226 1QS8 IVA VAL VAL STA ALA STA 0.01558 0.40216 4.25532
227 2DT5 NAD 0.004672 0.4023 4.2654
228 2Y6P CTP 0.002791 0.45255 4.2735
229 2BO4 FLC 0.001523 0.49543 4.28212
230 1EYE PMM 0.01078 0.42258 4.28571
231 3EFS BTN 0.007676 0.41879 4.29185
232 1KAE NAD 0.01585 0.41774 4.37788
233 3QV9 QV7 0.00534 0.45526 4.40882
234 3G89 SAM 0.02624 0.40329 4.41767
235 3I0O ADP 0.01708 0.41777 4.42478
236 3I0O SMI 0.04587 0.40995 4.42478
237 2O66 FLC 0.01702 0.43095 4.44444
238 3ZPG 5GP 0.01675 0.45455 4.45026
239 3DGB MUC 0.03061 0.40296 4.45026
240 1I2B USQ 0.0002357 0.41705 4.45545
241 1I2B UPG 0.0002357 0.41705 4.45545
242 1I2B NAD 0.0002357 0.41705 4.45545
243 2O2C G6Q 0.009411 0.41753 4.45736
244 2GNK ATP 0.002183 0.40275 4.46429
245 2RCN GDP 0.003898 0.44615 4.46927
246 1B5E DCM 0.009621 0.43321 4.47154
247 4QAR ADE 0.01167 0.42063 4.47761
248 4DN8 BMA 0.0006999 0.50492 4.48718
249 2JAR UMP 0.01089 0.40823 4.5
250 1EDO NAP 0.00002423 0.41523 4.5082
251 1TV5 A26 0.00003814 0.48826 4.51467
252 1TV5 ORO 0.0008281 0.45827 4.51467
253 1TV5 FMN 0.000003169 0.45161 4.51467
254 4M4Q 21A 0.00157 0.42315 4.56432
255 1N9L FMN 0.007749 0.41399 4.58716
256 3FPZ AHZ 0.00006036 0.41231 4.60123
257 3VCA PRO 0.00003162 0.55797 4.61165
258 2JGS BTN 0.04501 0.40829 4.61538
259 3QSB 743 0.00437 0.45033 4.64481
260 4K3P ACE GLN LEU ALA LEU PHE 0.009466 0.41143 4.64481
261 4PTN GXV 0.0455 0.40687 4.66472
262 3TFC PEP 0.04506 0.4054 4.67532
263 1BDB NAD 0.0001076 0.40226 4.69314
264 2NGR AF3 0.04431 0.4058 4.71204
265 1JA9 NDP 0.000001468 0.44246 4.74453
266 2B7N NTM 0.01391 0.43519 4.7619
267 3SJ7 NDP 0.0002824 0.435 4.7619
268 3O03 NAP 0.000001155 0.43462 4.811
269 1I0B PEL 0.04887 0.4001 4.81928
270 2R5T ANP 0.001496 0.43414 4.82574
271 1Q11 TYE 0.006843 0.44482 4.83871
272 3OYZ ACO 0.00003445 0.43839 4.84988
273 1G4U AF3 0.004384 0.45595 4.8913
274 2WMO GTP 0.0291 0.40056 4.90654
275 1I36 NAP 0.009806 0.40207 4.92424
276 3QP4 HL0 0.01551 0.40864 4.94506
277 2PVQ GSH 0.006722 0.41986 4.97512
278 3GTD MLI 0.02498 0.42286 4.97925
279 3ZV6 NAD 0.0003032 0.40136 4.98221
280 1OFL NGK GCD 0.01526 0.42625 4.9896
281 1UW1 ADP 0.004678 0.45803 5
282 1LSS NAD 0.005274 0.41385 5
283 2FOI JPA 0.02825 0.40804 5
284 2F1K NAP 0.004973 0.40898 5.01792
285 1VCO GLN 0.003398 0.40584 5.03876
286 1ZZ7 S0H 0.03637 0.4107 5.05051
287 2ZO9 MLI 0.00007343 0.51879 5.10949
288 1WKL ADP 0.001519 0.44148 5.10949
289 1WKL ATP 0.003783 0.4261 5.10949
290 4ASJ N6A 0.002029 0.42247 5.11945
291 3WSJ MK1 0.00008749 0.4007 5.17241
292 1SS4 CIT 0.02469 0.45696 5.22876
293 3PMD 11A 0.004353 0.44404 5.22876
294 4COQ SAN 0.006774 0.45596 5.23256
295 1LYX PGA 0.0002097 0.49028 5.24194
296 4LN7 1ZQ 0.00336 0.43185 5.26316
297 4HE2 AMP 0.001082 0.41083 5.32544
298 1NHZ 486 0.001617 0.42935 5.35714
299 3CF6 SP1 0.01683 0.40718 5.38922
300 2HNK SAH 0.003013 0.42633 5.43933
301 2Z4T C5P 0.004968 0.44748 5.44747
302 3DG6 MUC 0.0179 0.40948 5.44959
303 2Q1A 2KT 0.0009955 0.43698 5.46075
304 3E81 SLB 0.003028 0.46712 5.4878
305 2QLX RM4 0.03796 0.42339 5.55556
306 1SJW NGV 0.0004179 0.40727 5.55556
307 3QXV MTX 0.02363 0.40555 5.55556
308 3P7I P7I 0.01468 0.42928 5.60748
309 1SC3 MLI 0.01107 0.45751 5.61798
310 4LCQ URQ 0.001645 0.4106 5.62015
311 2BTO GTP 0.000001262 0.47235 5.70825
312 1EJE FMN 0.001894 0.43777 5.72917
313 4JEJ 1GP 0.02508 0.40671 5.7377
314 2ZYF AKG 0.01619 0.4229 5.75916
315 3CH5 GDP 0.0003159 0.42134 5.76923
316 4AF0 IMP 0.000004811 0.41226 5.81395
317 3AYS CT3 0.003642 0.44745 5.85106
318 4OB6 S2T 0.01775 0.40624 5.8651
319 2IZ1 ATR 0.02603 0.42185 5.90717
320 3EW2 BTN 0.02906 0.41127 5.92593
321 4LKK SIA GAL 0.001702 0.43957 5.95238
322 3DZ6 M8E 0.008475 0.41681 5.97015
323 1I7M CG 0.03659 0.40645 5.97015
324 3GU3 SAH 0.03781 0.40205 5.98592
325 4WVH ASP HIS ASP ALA HIS ALA 0.01373 0.42618 6.00775
326 1WDA BAG 0.01442 0.4252 6.00775
327 1RYI GOA 0.003271 0.51751 6.02094
328 1NVV GNP 0.001166 0.4244 6.0241
329 1WQ1 AF3 0.03819 0.40892 6.0241
330 1NVU GTP 0.00002133 0.40551 6.0241
331 3MMR ABH 0.0003609 0.44167 6.05327
332 2Q37 3AL 0.004826 0.45738 6.07735
333 2YCD GTB 0.01165 0.42111 6.08696
334 4GKY MAN 0.005819 0.43477 6.13027
335 2YK7 CSF 0.007338 0.41642 6.13497
336 3BRE C2E 0.02543 0.42726 6.14525
337 1VE3 SAM 0.004145 0.42107 6.1674
338 3IAE D7K 0.0006533 0.41754 6.20155
339 2FKA BEF 0.04876 0.41252 6.20155
340 1S8F GDP 0.009158 0.42171 6.21469
341 1QO0 BMD 0.0009812 0.49764 6.23377
342 1PEA ACM 0.003538 0.48391 6.23377
343 3GM5 CIT 0.03097 0.42296 6.28931
344 3PLN U5P 0.04508 0.40626 6.36792
345 4FWE FAD 0.00009694 0.40896 6.39535
346 3KO8 NAD 0.001223 0.40657 6.41026
347 1ECM TSA 0.009112 0.43428 6.42202
348 4G1V FAD 0.0002725 0.40504 6.51629
349 3F81 STT 0.00268 0.49862 6.55738
350 1UCN ADP 0.007199 0.42609 6.57895
351 3GJB AKG 0.006101 0.4422 6.58307
352 1PJ6 FOL 0.000168 0.40312 6.58915
353 2ZJF BSU 0.02245 0.41249 6.62983
354 3NOJ PYR 0.00008155 0.5385 6.72269
355 1VQ2 DDN 0.00006231 0.4011 6.73575
356 4JWX 1N4 0.03261 0.41295 6.78571
357 2C9O ADP 0.00008644 0.44113 6.79825
358 4OYA 1VE 0.00006227 0.42216 6.80851
359 2QXX TTP 0.0008851 0.40313 6.84211
360 4DSU BZI 0.03588 0.41163 6.87831
361 3RF4 FUN 0.001995 0.46982 6.89655
362 1TH8 ADP 0.01897 0.41574 6.89655
363 2ZJ5 ADP 0.03544 0.41545 6.94444
364 1FWY UD1 0.00006889 0.44409 6.94864
365 1ZJ6 G3D 0.00839 0.42726 6.95187
366 3VTF UPG 0.01307 0.40211 6.98198
367 4IHQ ADP 0.01245 0.42811 7.01754
368 1HV9 UD1 0.0004959 0.41835 7.01754
369 3SHR CMP 0.002603 0.45388 7.02341
370 3U40 ADN 0.01467 0.41575 7.02479
371 2ZSC BTN 0.01981 0.40762 7.0922
372 2JBH 5GP 0.005101 0.44573 7.11111
373 1VL8 NAP 0.00006322 0.44192 7.11611
374 1UJ2 C5P 0.005233 0.40225 7.14286
375 2YDW WSH 0.002954 0.45146 7.18954
376 1LTH NAD 0.000003262 0.42066 7.21003
377 4C1K PEP 0.03273 0.41301 7.25191
378 1GEE NAD 0.001154 0.40996 7.27969
379 3E5H GNP 0.002797 0.41446 7.30337
380 2VGD XYP XYP 0.03173 0.40993 7.33945
381 1XIU REA 0.003314 0.43209 7.3913
382 1KYZ SAH 0.01289 0.41162 7.39726
383 1KYZ FER 0.002228 0.40912 7.39726
384 1K27 MTM 0.000406 0.42096 7.42049
385 1I2L DCS 0.008631 0.40897 7.43494
386 3H0L ADP 0.038 0.40558 7.44681
387 2XCU C5P 0.01749 0.4278 7.48663
388 1LCF OXL 0.01779 0.40986 7.55814
389 4QED NAP 0.001822 0.40649 7.66129
390 4QDF 30Q 0.0003214 0.43816 7.69231
391 4QDC ASD 0.001569 0.41552 7.69231
392 3Q3C NAD 0.000008458 0.41197 7.69231
393 2FEQ 34P 0.004222 0.42791 7.72201
394 2A2X NA9 0.01179 0.40689 7.72201
395 4E13 NAD 0.009498 0.40436 7.77385
396 1XE7 GUN 0.04909 0.4284 7.88177
397 4F4S EFO 0.004391 0.45383 7.89474
398 4IEN GDP 0.0003175 0.43834 7.97546
399 4IEN COA 0.0007623 0.41274 7.97546
400 2V5E SCR 0.0166 0.46224 8
401 1NYT NAP 0.004864 0.40334 8.11808
402 1MXI SAH 0.01099 0.40808 8.125
403 3F5A SIA GAL NAG 0.007555 0.42363 8.13008
404 2ZWS PLM 0.0007617 0.55123 8.13953
405 1T0S BML 0.00994 0.46001 8.13953
406 1RZX ACE VAL LYS GLU SER LEU VAL 0.03108 0.41453 8.16327
407 1YOA FMN 0.03183 0.45352 8.1761
408 1YOA FAD 0.005601 0.40979 8.1761
409 3DUR KDO 0.03787 0.40987 8.26446
410 3QDY CBS 0.01019 0.45299 8.39161
411 3QDT A2G GAL 0.03142 0.4332 8.39161
412 3SIX GDP 0.03148 0.40243 8.48485
413 1LNX URI 0.02222 0.42082 8.64198
414 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.00001705 0.40312 8.65385
415 2BZ1 TAU 0.02068 0.46491 8.67347
416 3RO7 TDR 0.00004662 0.42341 8.67924
417 1Y1A GSH 0.02549 0.45866 8.74317
418 1DBT U5P 0.009621 0.41033 8.78661
419 1GXU 2HP 0.009747 0.40105 8.79121
420 2BOI MFU 0.01888 0.42415 8.84956
421 1KTC NGA 0.0227 0.42038 9.1358
422 1V7R CIT 0.01021 0.47443 9.13978
423 1IK4 PGH 0.005024 0.44278 9.21053
424 2XG5 EC5 0.0002491 0.54084 9.24856
425 1QD0 RR6 0.00305 0.44614 9.375
426 1U5R ATP 0.005642 0.42661 9.48276
427 3L0E G58 0.001398 0.41866 9.48617
428 1HE1 AF3 0.006985 0.44933 9.62963
429 3DXY SAM 0.01915 0.4136 9.63303
430 1Q6O LG6 0.01861 0.40539 9.72222
431 1F5F DHT 0.0009515 0.45363 9.7561
432 1DRV A3D 0.00001389 0.41891 9.89011
433 4NTX AMR 0.0001237 0.52994 10
434 1DXY NAD 0.001423 0.41841 10.2102
435 1DXY COI 0.00266 0.41224 10.2102
436 9LDT NAD 0.0001691 0.43552 10.241
437 2P8O BVA 0.006995 0.41917 10.3093
438 4M7F BM3 0.003537 0.45821 10.6195
439 4IXW IXW 0.01031 0.43184 10.6299
440 4OJP MAL 0.04974 0.407 10.6589
441 2HVK TBA 0.008098 0.4521 10.8491
442 1AL8 FMN 0.00003714 0.4045 10.8635
443 1C1L GAL BGC 0.0383 0.42319 10.9489
444 3IPQ 965 0.001104 0.4133 10.9541
445 3DER ALA LYS 0.00488 0.41838 11.0145
446 1WRA PC 0.03124 0.42781 11.039
447 3BY8 MLT 0.01415 0.44564 11.2676
448 3D3H M4O 0.004358 0.43118 11.5
449 2ORV 4TA 0.00516 0.40523 11.5385
450 4R84 CSF 0.001077 0.46661 11.7296
451 2YLD CMO 0.04223 0.41615 11.811
452 2VDJ HSE 0.0186 0.44545 11.9601
453 3TKA CTN 0.006773 0.49061 12.3919
454 3TKA SAM 0.008618 0.40593 12.3919
455 1RZM PEP 0.004068 0.45537 12.426
456 1RZM E4P 0.01705 0.44146 12.426
457 1F7K UMP 0.003452 0.41277 12.5
458 3SJU NDP 0.00233 0.40062 12.5448
459 4JCA CIT 0.01923 0.45854 12.5749
460 1EXB NDP 0.000103 0.40268 12.6214
461 3KJQ B94 0.001851 0.45544 12.6316
462 5RHN 8BR 0.00399 0.43275 13.0435
463 2BOS GLA GAL GLC NBU 0.01908 0.42783 13.2353
464 3NGU ADP 0.008349 0.42339 13.245
465 3LTW HLZ 0.007269 0.45443 13.5714
466 1ZQ9 SAM 0.01131 0.41103 14.0351
467 3CBC DBS 0.03385 0.41338 14.1414
468 1NNS ASP 0.0125 0.42379 14.7239
469 2IYG FMN 0.00466 0.43824 15.3226
470 3NJQ NJQ 0.0005032 0.4334 15.544
471 1YRX FMN 0.01702 0.41041 15.7025
472 2WL9 MBD 0.002331 0.4172 16.0656
473 3RK0 AMP 0.03094 0.40307 16.8776
474 2WZ5 MET 0.01462 0.40712 16.9935
475 1OGD RIP 0.04708 0.40536 17.5573
476 3KPE TM3 0.0001707 0.53531 17.9487
477 3HGM ATP 0.01067 0.4061 18.3673
478 1Y7P RIP 0.006343 0.47041 18.8341
479 1Y75 NAG 0.01311 0.42709 19.4915
480 1O8B ABF 0.04403 0.40216 20.0913
481 1UO5 PIH 0.01113 0.48119 20.5882
482 1ULE GLA GAL NAG 0.01276 0.45422 20.6667
483 1UGX GAL MGC 0.0004677 0.42802 23.3083
484 2Y5D NAP 0.000000001344 0.66394 24.2248
485 3IWD M2T 0.01023 0.44039 25
486 4CCO OGA 0.04203 0.40771 30
487 1EZ0 NAP 0.003465 0.44841 30.7843
488 2PR5 FMN 0.00124 0.4449 31.0606
489 5UCD NAP 0.0002621 0.51093 33.9168
490 3EFV NAD 0.0000000001065 0.70004 40.4762
491 3VZ3 NAP 0.00000000008865 0.68873 42.2319
492 3VZ3 SSN 0.000000000895 0.62331 42.2319
493 1KY8 NAP 0.00000000000235 0.65884 42.3154
494 4ZUL UN1 0.003506 0.45061 42.4419
495 4I8P NAD 0.000000000000007216 0.8245 45.3488
496 3RHJ NAP 0.00000000000001876 0.76421 46.5116
497 1UO4 PIH 0.02907 0.4481 47.0588
498 1O9J NAD 0.00000000000001954 0.83596 47.093
499 3JZ4 NAP 0.00000000001453 0.7502 47.1933
500 3IWK NAD 0.00000000001781 0.79325 47.5149
501 4I9B NAD 0.00000000003811 0.78893 47.8682
502 3IWJ NAD 0.00000000001199 0.8344 47.9125
503 4I3V NAD 0.0000000000007777 0.76629 47.9508
504 2QE0 NAP 0.0000000000001026 0.70983 48
505 4PZ2 NAD 0.00001381 0.5541 48.4496
506 5L13 6ZE 0.0008701 0.4355 48.6434
507 4A0M NAD 0.00000000000002087 0.77506 48.9919
508 2IMP NAI 0.0000000003133 0.63064 49.0605
509 2IMP LAC 0.03097 0.41334 49.0605
510 2WME NAP 0.00000000003277 0.80266 49.7959
511 2WOX NDP 0.00000000000005873 0.78305 49.8978
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