Receptor
PDB id Resolution Class Description Source Keywords
1XSE 2.5 Å EC: 1.1.1.146 CRYSTAL STRUCTURE OF GUINEA PIG 11BETA-HYDROXYSTEROID DEHYDR TYPE 1 CAVIA PORCELLUS 11BETA-HYDROXYSTEROID DEHYDROGENASE DIMER OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF GUINEA PIG 11BETA-HYDROXYS DEHYDROGENASE TYPE 1 PROVIDES A MODEL FOR ENZYME-LI BILAYER INTERACTIONS J.BIOL.CHEM. V. 280 3789 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:1300;
B:2300;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XSE 2.5 Å EC: 1.1.1.146 CRYSTAL STRUCTURE OF GUINEA PIG 11BETA-HYDROXYSTEROID DEHYDR TYPE 1 CAVIA PORCELLUS 11BETA-HYDROXYSTEROID DEHYDROGENASE DIMER OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF GUINEA PIG 11BETA-HYDROXYS DEHYDROGENASE TYPE 1 PROVIDES A MODEL FOR ENZYME-LI BILAYER INTERACTIONS J.BIOL.CHEM. V. 280 3789 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3G49 Ki = 287 nM 3G4 C18 H22 Cl N3 O3 S CCN(CC)C(=....
2 3DWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3LZ6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1XSE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% 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 2ILT Ki = 7 nM NN1 C21 H27 Cl F N O4 S CC(C)(C(=O....
2 4IJU ic50 = 5.1 nM 1EO C19 H18 F N3 O2 c1ccc(c(c1....
3 3PDJ ic50 = 14 nM 3PJ C28 H33 F3 N2 O3 C[C@](c1cc....
4 3CZR ic50 = 3 nM 3CZ C21 H27 N3 O4 S C[C@@H]1C[....
5 3HFG ic50 = 10 nM 17R C20 H19 F4 N5 O2 S C[C@@H]1C[....
6 1XU7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2BEL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4C7J ic50 = 9.9 nM 4YQ C19 H26 N2 O4 S C1CC1c2c(s....
9 3H6K ic50 = 26 nM 33T C19 H18 Cl F4 N3 O3 S C[C@@H]1C[....
10 4IJW ic50 = 1.6 nM 1EQ C18 H16 Cl N3 c1cc(c2nnc....
11 4C7K ic50 = 43 nM DZL C20 H28 N2 O3 S CCc1nc(c(s....
12 4BB5 ic50 = 21 nM HD2 C24 H34 N4 O3 c1c(c(nc(n....
13 1XU9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
14 3BZU ic50 = 14 nM A21 C13 H12 F4 N2 O S C[C@@H](c1....
15 3FRJ ic50 = 167 nM A49 C23 H30 F3 N3 O3 C[C@](c1cc....
16 3CH6 ic50 = 0.1 nM 311 C20 H23 F N2 O Cc1ccc(cc1....
17 4IJV ic50 = 0.7 nM 1EN C21 H15 Cl F N3 O c1ccc(c(c1....
18 4HX5 ic50 = 4 nM 19V C33 H45 N7 O2 CC(C)(C)N1....
19 3TFQ ic50 = 12 nM 07M C16 H12 N4 O2 S c1cc(c(nc1....
20 4K1L ic50 = 0.031 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
21 2RBE Ki = 17 nM ZMG C12 H13 F N2 O S CC(C)[C@@H....
22 3D4N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4K26 ic50 = 1.22 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
24 1Y5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3G49 Ki = 287 nM 3G4 C18 H22 Cl N3 O3 S CCN(CC)C(=....
26 3DWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3LZ6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 1XSE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
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 2ILT Ki = 7 nM NN1 C21 H27 Cl F N O4 S CC(C)(C(=O....
2 4IJU ic50 = 5.1 nM 1EO C19 H18 F N3 O2 c1ccc(c(c1....
3 3PDJ ic50 = 14 nM 3PJ C28 H33 F3 N2 O3 C[C@](c1cc....
4 3CZR ic50 = 3 nM 3CZ C21 H27 N3 O4 S C[C@@H]1C[....
5 3HFG ic50 = 10 nM 17R C20 H19 F4 N5 O2 S C[C@@H]1C[....
6 1XU7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2BEL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4C7J ic50 = 9.9 nM 4YQ C19 H26 N2 O4 S C1CC1c2c(s....
9 3H6K ic50 = 26 nM 33T C19 H18 Cl F4 N3 O3 S C[C@@H]1C[....
10 4IJW ic50 = 1.6 nM 1EQ C18 H16 Cl N3 c1cc(c2nnc....
11 4C7K ic50 = 43 nM DZL C20 H28 N2 O3 S CCc1nc(c(s....
12 4BB5 ic50 = 21 nM HD2 C24 H34 N4 O3 c1c(c(nc(n....
13 1XU9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
14 3BZU ic50 = 14 nM A21 C13 H12 F4 N2 O S C[C@@H](c1....
15 3FRJ ic50 = 167 nM A49 C23 H30 F3 N3 O3 C[C@](c1cc....
16 3CH6 ic50 = 0.1 nM 311 C20 H23 F N2 O Cc1ccc(cc1....
17 4IJV ic50 = 0.7 nM 1EN C21 H15 Cl F N3 O c1ccc(c(c1....
18 4HX5 ic50 = 4 nM 19V C33 H45 N7 O2 CC(C)(C)N1....
19 3TFQ ic50 = 12 nM 07M C16 H12 N4 O2 S c1cc(c(nc1....
20 4K1L ic50 = 0.031 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
21 2RBE Ki = 17 nM ZMG C12 H13 F N2 O S CC(C)[C@@H....
22 3D4N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4K26 ic50 = 1.22 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
24 1Y5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3G49 Ki = 287 nM 3G4 C18 H22 Cl N3 O3 S CCN(CC)C(=....
26 3DWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3LZ6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 1XSE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XSE; Ligand: NDP; 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: 1xse.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XSE; Ligand: NDP; Similar sites found: 492
This union binding pocket(no: 2) in the query (biounit: 1xse.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QX9 ATP 0.008569 0.45277 None
2 4YMH SAH 0.002323 0.44216 0.833333
3 4IF4 BEF 0.03487 0.40833 0.961538
4 2YX1 SFG 0.02169 0.41328 1.01695
5 4XYB NDP 0.003858 0.40046 1.35593
6 3DXY SAM 0.03716 0.4047 1.37615
7 5F5N NAD 0.000002052 0.55228 1.38408
8 3EGI ADP 0.01679 0.43476 1.45631
9 4AZT SAM 0.006566 0.42828 1.58172
10 1HFU NAG NDG 0.0006373 0.55011 1.69492
11 1A5Z NAD 0.0009568 0.45579 1.69492
12 5U5G NAP 0.0008183 0.439 1.69492
13 5THY SAH 0.01414 0.40673 1.69492
14 1EU8 TRE 0.01106 0.406 1.69492
15 1HYH NAD 0.00427 0.40553 1.69492
16 1F8G NAD 0.01341 0.40501 1.69492
17 1MUU NAD 0.009581 0.40349 1.69492
18 5ULP KB1 0.003728 0.42358 1.86567
19 2NXE SAM 0.01213 0.41575 1.9685
20 1ORR NAD 0.00000004913 0.52772 2.0339
21 4ONQ SFG 0.01015 0.41939 2.0339
22 5SXS NIZ 0.03726 0.4114 2.0339
23 2A92 NAI 0.003302 0.40749 2.0339
24 1ZQ9 SAM 0.004455 0.43618 2.10526
25 2IYL GDP 0.04463 0.4039 2.11268
26 5KVA SAM 0.004481 0.42613 2.15827
27 5IN4 NAP 0.000008631 0.54633 2.37288
28 5IN4 6CK 0.000008429 0.54633 2.37288
29 5IN4 GDP 0.000009309 0.54373 2.37288
30 1RPN NDP 0.0000003445 0.54128 2.37288
31 1V35 NAI 0.0000002297 0.5264 2.37288
32 1V6A TRE 0.003639 0.47131 2.37288
33 4DPL NAP 0.0008569 0.4353 2.37288
34 2EG5 SAH 0.01028 0.42954 2.37288
35 1EZ4 NAD 0.002435 0.42559 2.37288
36 5LD5 NAD 0.004427 0.42332 2.37288
37 1X14 NAD 0.01491 0.41468 2.37288
38 3OA2 NAD 0.003972 0.41162 2.37288
39 2VDV SAM 0.005904 0.44156 2.43902
40 3GDH SAH 0.005845 0.41524 2.48963
41 5MGZ SAH 0.008477 0.41986 2.54237
42 5E6O TRP GLU GLU LEU 0.03956 0.41029 2.54237
43 1KYQ NAD 0.005503 0.43543 2.55474
44 3A4T SFG 0.006971 0.41762 2.55474
45 4X17 SIA SIA 0.0373 0.40462 2.57353
46 3B9Q MLI 0.01356 0.44265 2.71186
47 1I0Z NAI 0.0006317 0.4405 2.71186
48 1G55 SAH 0.005889 0.42715 2.71186
49 1XF1 CIT 0.03654 0.41284 2.71186
50 3WBF NAP 0.00482 0.40826 2.71186
51 4V3I ASP LEU THR ARG PRO 0.029 0.4189 2.72374
52 3WCS MAN NAG 0.04749 0.40973 2.75591
53 3LST SAH 0.02141 0.41356 2.87356
54 1P1C SAH 0.006247 0.41681 3.01508
55 1MRH FMC 0.02279 0.42744 3.04183
56 1CER NAD 0.0009307 0.44281 3.05085
57 1HDG NAD 0.002946 0.42501 3.05085
58 3B1J NAD 0.001632 0.42432 3.05085
59 2Z9I GLY ALA THR VAL 0.03088 0.41636 3.05085
60 4B1Y LAB 0.03755 0.41153 3.05085
61 2ZWA SAH 0.01007 0.41054 3.05085
62 4A6D SAM 0.0149 0.40856 3.05085
63 1VE3 SAM 0.01217 0.4157 3.0837
64 3OFK SAH 0.008953 0.42531 3.24074
65 3F81 STT 0.01657 0.4016 3.27869
66 2V6G NAP 0.0000001415 0.5062 3.38983
67 3G89 SAM 0.0005064 0.49468 3.38983
68 5JAQ NAI 0.00000645 0.48563 3.38983
69 2BH9 NAP 0.0009952 0.47537 3.38983
70 2EXX NAP 0.00005808 0.4677 3.38983
71 4UYW H1S 0.0306 0.43927 3.38983
72 5CX6 CDP 0.01812 0.43601 3.38983
73 4RLQ 3SK 0.02751 0.42292 3.38983
74 1VHZ APR 0.03352 0.42055 3.38983
75 1U8X NAD 0.00492 0.41298 3.38983
76 2HBL AMP 0.04878 0.41212 3.38983
77 2GCG NDP 0.005885 0.40243 3.38983
78 3EWP APR 0.01287 0.40055 3.38983
79 5HJM MTA 0.01259 0.41194 3.40909
80 1WP4 NDP 0.001107 0.43669 3.46021
81 2CVZ NDP 0.005703 0.41033 3.46021
82 3WV8 ATP 0.001272 0.45772 3.66972
83 2PXX SAH 0.003439 0.43788 3.72093
84 1N7G GDR 0.0000002646 0.54861 3.72881
85 4TQG NDP 0.000000003685 0.54385 3.72881
86 1N7G NDP 0.000004937 0.51497 3.72881
87 2HJR APR 0.0001145 0.49225 3.72881
88 1BW9 NAD 0.003189 0.43267 3.72881
89 2O9R TCB 0.01167 0.42319 3.72881
90 2IXB NAD 0.001575 0.42228 3.72881
91 5AYI BGC 0.03463 0.41738 3.72881
92 2PV7 NAD 0.003871 0.41463 3.72881
93 5X20 NAD 0.00543 0.41386 3.72881
94 2TOH HBI 0.0472 0.41149 3.72881
95 1C1X NAD 0.005912 0.40969 3.72881
96 2IZ1 ATR 0.04605 0.40896 3.72881
97 1HKU NAD 0.004847 0.4034 3.72881
98 2DT5 NAD 0.004475 0.40955 3.79147
99 2QES ADE 0.02337 0.42023 3.83142
100 2YY7 NAD 0.0000002458 0.49861 4.0678
101 3KB6 NAD 0.002563 0.4219 4.0678
102 3GFB NAD 0.002664 0.42122 4.0678
103 1C3V NDP 0.004123 0.40612 4.08163
104 1GY8 NAD 0.0000001832 0.57423 4.40678
105 1E7S NAP 0.00000006125 0.52129 4.40678
106 1SQF SAM 0.001698 0.4558 4.40678
107 5KKA 6V0 0.0004943 0.43887 4.40678
108 1O6Z NAD 0.00168 0.43836 4.40678
109 3V1Y NAD 0.001969 0.42939 4.40678
110 3B9Z CO2 0.04088 0.41532 4.40678
111 3VYW SAM 0.0162 0.40405 4.40678
112 1I2B NAD 0.0000003774 0.54195 4.45545
113 1I2B USQ 0.005031 0.42421 4.45545
114 1I2B UPG 0.005031 0.42421 4.45545
115 5KXE 6Y2 0.04304 0.41328 4.52675
116 3P9T TCL 0.04997 0.40128 4.56621
117 2Y7P SAL 0.03155 0.41962 4.58716
118 3MQ2 SAH 0.02674 0.40245 4.58716
119 1JG3 ADN 0.01923 0.40633 4.68085
120 5FTW SAH 0.0157 0.40468 4.6875
121 3MB5 SAM 0.005788 0.41825 4.70588
122 3PA8 IHP 0.03767 0.41145 4.72441
123 4R1S NAP 0.00000001751 0.63751 4.74576
124 5MSO NAP 0.0000000229 0.63272 4.74576
125 2C29 NAP 0.00000006067 0.53482 4.74576
126 2C29 DQH 0.0000001707 0.52019 4.74576
127 1BXK NAD 0.0000001734 0.49191 4.74576
128 5W3Y ACO 0.02659 0.41292 4.74576
129 1LLU NAD 0.002959 0.40471 4.74576
130 1R6D DAU 0.0000002053 0.54881 4.74777
131 1R6D NAD 0.0000002893 0.54482 4.74777
132 3W68 4PT 0.03211 0.41915 4.88722
133 3GU3 SAH 0.003377 0.4627 4.92958
134 2RIF AMP 0.01671 0.41896 4.96454
135 1Z45 NAD 0.0000001373 0.58421 5.08475
136 5E8J SAH 0.005135 0.44458 5.08475
137 4DMG SAM 0.009327 0.43554 5.08475
138 2I3G NAP 0.0008456 0.43272 5.08475
139 1D1T NAD 0.001849 0.41708 5.08475
140 4UCI SAM 0.01003 0.4165 5.08475
141 1Z45 UPG 0.0118 0.41632 5.08475
142 5CAE COA 0.00561 0.416 5.08475
143 5DN9 NAD 0.002452 0.41003 5.08475
144 1HDR NAD 0.0001449 0.40989 5.08475
145 4NOS ITU 0.04649 0.40648 5.08475
146 2OOR NAD 0.01408 0.40407 5.17241
147 5JGL SAM 0.01275 0.4117 5.19031
148 2BKA NDP 0.0000004474 0.47857 5.3719
149 3H4V DVP 0.000000003288 0.59746 5.42373
150 3H4V NAP 0.000000008023 0.5825 5.42373
151 3I6I NDP 0.00003199 0.46471 5.42373
152 2UYQ SAM 0.005859 0.46462 5.42373
153 1Y8Q ATP 0.003362 0.4255 5.42373
154 4KCT FDP 0.03506 0.40601 5.42373
155 1H2B NAJ 0.0035 0.40424 5.42373
156 1M2W NAD 0.01389 0.40168 5.42373
157 3EGV SAH 0.01963 0.40892 5.44218
158 5LOG SAH 0.005692 0.42782 5.5794
159 4GLL NAD 0.00000009761 0.5128 5.63798
160 1RKX NAD 0.000000004611 0.63599 5.76271
161 4OOE NDP 0.0007369 0.44699 5.76271
162 4XQC NAD 0.0003026 0.41582 5.76271
163 5UAV TFB 0.001634 0.4119 5.76271
164 2P41 SAH 0.01637 0.40963 5.76271
165 4XQC 13D 0.0004238 0.40811 5.76271
166 5UAV NDP 0.002712 0.40611 5.76271
167 1J5P NAD 0.0006781 0.44531 5.92885
168 1WVG APR 0.0000002118 0.59866 6.1017
169 1EQ2 NAP 0.0000005247 0.56136 6.1017
170 1KEW TYD 0.0000002385 0.54394 6.1017
171 1KEW NAD 0.0000004552 0.53539 6.1017
172 4D3F NAP 0.0008093 0.459 6.1017
173 4E5N NAD 0.002268 0.41616 6.1017
174 1F3L SAH 0.007557 0.41607 6.1017
175 1XDS SAM 0.02219 0.41278 6.1017
176 3H9E NAD 0.006003 0.40941 6.1017
177 2VYN NAD 0.004717 0.40864 6.1017
178 5K7U SAM 0.02283 0.4028 6.1017
179 1R18 SAH 0.004907 0.42438 6.1674
180 3P2E SAH 0.01354 0.40759 6.22222
181 4OBW SAM 0.02596 0.40016 6.22568
182 1DRV A3D 0.01503 0.40281 6.22711
183 5GM1 SAH 0.01008 0.40776 6.39731
184 5AIG VPR 0.01515 0.43279 6.4
185 3A4V NAD 0.00000005585 0.56958 6.44068
186 3A4V PYR 0.00000005585 0.56958 6.44068
187 4HXY NDP 0.000000008398 0.54207 6.44068
188 4O1M NAD 0.00000007465 0.51199 6.44068
189 3N75 G4P 0.01699 0.43478 6.44068
190 4XZ3 COA 0.006789 0.41524 6.44068
191 1H9A NAP 0.0003159 0.40889 6.44068
192 3A06 NDP 0.003131 0.40381 6.44068
193 2F1K NAP 0.001453 0.43483 6.45161
194 3H8V ATP 0.0002337 0.4961 6.50685
195 1U7T NAD 0.0000000001299 0.71754 6.51341
196 1E3W NAD 0.0000000001497 0.70043 6.51341
197 1U7T TDT 0.0000000004571 0.61568 6.51341
198 1E6W NAD 0.000000000109 0.70584 6.53846
199 1ZMD NAI 0.003484 0.42195 6.54008
200 3EVG SAH 0.005568 0.43164 6.54545
201 5T9F NAP 0.0004182 0.43084 6.64207
202 5T9F TYR 0.0003657 0.43038 6.64207
203 3G2O SAM 0.01031 0.41908 6.68896
204 5BW4 SAM 0.004763 0.43843 6.74157
205 4U7W NDP 0.000000001183 0.67866 6.77966
206 4ZRN NAD 0.000000007994 0.61013 6.77966
207 4ZRN UPG 0.0000001457 0.49788 6.77966
208 4GKV NAD 0.001596 0.41462 6.77966
209 3TLJ SAH 0.01079 0.40647 6.77966
210 5DOZ NDP 0.00384 0.40273 6.77966
211 3JUT GTQ 0.02565 0.43426 6.92308
212 4RDH AMP 0.001242 0.47068 6.94444
213 4RDI ATP 0.002395 0.44881 6.94444
214 4IXW IXW 0.002744 0.47247 7.08661
215 4J1Q NDP 0.0000001104 0.49781 7.11864
216 4PVD NDP 0.00000008231 0.49405 7.11864
217 1VL0 NAI 0.0000001133 0.48411 7.11864
218 3BAZ NAP 0.001068 0.44348 7.11864
219 5H81 NAP 0.002498 0.43736 7.11864
220 5JE8 NAD 0.001954 0.43249 7.11864
221 2JJQ SAH 0.01898 0.41618 7.11864
222 5JJR SAH 0.01572 0.41046 7.11864
223 4JBI NDP 0.008842 0.40496 7.11864
224 3GGO NAI 0.001465 0.40379 7.11864
225 3GGO ENO 0.001465 0.40379 7.11864
226 3LKZ SFG 0.01904 0.40364 7.11864
227 1EJ0 SAM 0.0008082 0.47089 7.22222
228 3CBG SAH 0.01627 0.41286 7.32759
229 4K28 NAD 0.002599 0.42729 7.43494
230 3KO8 NAD 0.000000009269 0.61861 7.45763
231 3V1U NAD 0.0000000001073 0.56383 7.45763
232 1LTH NAD 0.0006593 0.45569 7.45763
233 1E5Q NDP 0.0005118 0.44712 7.45763
234 3SSO SAH 0.00236 0.44185 7.45763
235 3VPH NAD 0.001311 0.42022 7.45763
236 5DX8 SFG 0.01147 0.40531 7.45763
237 3GXO SAH 0.02779 0.40466 7.45763
238 5DXA SFG 0.01464 0.40068 7.45763
239 5DX1 SFG 0.01134 0.4004 7.45763
240 4PIV NDP 0.00000009874 0.50843 7.57576
241 2XYQ SAH 0.003522 0.44097 7.58621
242 1P77 ATR 0.01087 0.44514 7.72059
243 3OJF IMJ 0.00000003163 0.56226 7.7821
244 3OJF NDP 0.00000003181 0.54334 7.7821
245 1Y1P NMN AMP PO4 0.000001417 0.575 7.79661
246 1LVL NAD 0.005768 0.42435 7.79661
247 2DKN NAI 0.000000000004186 0.76954 7.84314
248 5E1M SAH 0.006259 0.42275 7.88382
249 5L95 AMP 0.0002809 0.48781 7.8853
250 2PK3 A2R 0.000001429 0.42859 8.09969
251 5F8F SFG 0.002239 0.45821 8.13559
252 9LDB NAD 0.0008067 0.43351 8.13559
253 2GSD NAD 0.00153 0.41295 8.13559
254 4R5M NAP 0.004119 0.41099 8.13559
255 2FOI JPA 0.006 0.44968 8.33333
256 3O26 NDP 0.000000000117 0.59095 8.47458
257 1EK6 UPG 0.0000001402 0.55841 8.47458
258 4EUE NAI 0.0000007172 0.49208 8.47458
259 1EK6 NAI 0.0000001224 0.48567 8.47458
260 1LDM NAD 0.001118 0.43077 8.47458
261 1O94 ADP 0.008358 0.40859 8.47458
262 2CVQ NDP 0.004855 0.40813 8.47458
263 3QV1 NAD 0.001333 0.43946 8.53659
264 1FMB HYB 0.02013 0.41844 8.65385
265 4NEC SAH 0.008337 0.43034 8.71212
266 3RFV NAI 0.00000008161 0.60415 8.81356
267 3RFV 15L 0.000001732 0.55531 8.81356
268 4ZNO SUC 0.01164 0.44483 8.81356
269 4QTU SAM 0.01637 0.40667 8.88889
270 4KWI NAP 0.00000000002152 0.66769 9.12547
271 4KWI 1TJ 0.00000000002295 0.65843 9.12547
272 4MDH NAD 0.0009557 0.43927 9.15254
273 5MDH NAD 0.0009842 0.43875 9.15254
274 1FK8 NAD 0.0000000001202 0.73468 9.33852
275 3AB4 THR 0.0303 0.41658 9.55056
276 2DTJ THR 0.03664 0.40845 9.55056
277 3F9W SAH 0.04581 0.40683 9.63855
278 5MPT SAH 0.004799 0.43467 9.83051
279 1NYT NAP 0.002977 0.42482 9.9631
280 2YVJ NAI 0.02086 0.40466 10.0917
281 5L4S 6KX 0.00000000103 0.59854 10.1695
282 5L4S NAP 0.00000000103 0.59854 10.1695
283 3KL3 GCU 0.01905 0.43011 10.1695
284 5KVS NAP 0.005436 0.41659 10.1695
285 5MG2 7M8 0.03736 0.41165 10.219
286 3ABI NAD 0.0003003 0.45317 10.5085
287 4RQU NAD 0.006944 0.40192 10.8475
288 2Q46 NAP 0.00000001068 0.63373 11.0672
289 2GZ3 NAP 0.0007057 0.42163 11.1864
290 4FC7 COA 0.0000000004166 0.62805 11.1913
291 4FC7 NAP 0.0000000004166 0.62805 11.1913
292 1QG6 TCL 0.00000006672 0.55446 11.4943
293 1QG6 NAD 0.00000006672 0.55446 11.4943
294 2X6T NAP 0.0000002862 0.57169 11.5254
295 4WA2 SIA GAL NAG 0.03267 0.41878 11.5254
296 3MJE NDP 0.000000007452 0.53847 11.8644
297 4II2 ATP 0.007235 0.4199 12.0482
298 1HDO NAP 0.0000001295 0.56552 12.1359
299 2Q1W NAD 0.00000008557 0.5819 12.2034
300 5L4L 7OX 0.000009583 0.46877 12.2034
301 5L4L NAP 0.000001387 0.45279 12.2034
302 5X62 SAH 0.01756 0.41126 12.2034
303 3ORF NAD 0.0000004948 0.56731 12.749
304 3OID NDP 0.00000000002431 0.6286 12.7907
305 1VKO NAD 0.003869 0.40486 12.8814
306 4OSP NAP 0.00000000001185 0.75153 12.9278
307 4OSP 2V4 0.0009677 0.50262 12.9278
308 1LPD ADE 0.02021 0.42209 12.9921
309 2C5A NAD 0.00000004329 0.49633 13.2203
310 2C5A GDC 0.00000004329 0.49633 13.2203
311 2Q1S NAI 0.000003089 0.49745 13.5593
312 5FA5 MTA 0.01357 0.41998 13.5593
313 2GN2 C5P 0.02426 0.42481 14.2373
314 4M38 SAH 0.0183 0.40166 14.2857
315 5TDC NMM ILE PHE SER 0.04452 0.41596 14.4737
316 3B1F NAD 0.002383 0.43827 14.5763
317 2HMT NAI 0.001129 0.45262 14.5833
318 3WMX NAD 0.0000006717 0.57226 14.9153
319 1UDB NAD 0.00000008448 0.49725 15.5932
320 5CG1 NAD BBN 0.000001653 0.43441 15.5932
321 3LU1 NAD 0.00000002977 0.61025 16.2088
322 2WD7 NAP 0.0000000013 0.55279 16.4179
323 2VZ0 NAP 0.00000001858 0.44174 16.4179
324 2VZ0 D64 0.00000001858 0.44174 16.4179
325 4D42 W0I 0.00000004335 0.56983 16.6102
326 4D42 NAP 0.00000004335 0.56983 16.6102
327 4D79 ATP 0.0006755 0.47453 16.6667
328 3SK2 GRI 0.04291 0.41421 16.6667
329 4KXQ APR 0.008815 0.4131 16.6667
330 2B4R NAD 0.001815 0.4199 17.6271
331 2B4R AES 0.00548 0.40365 17.6271
332 3RJ5 NAD 0.0000000008526 0.62386 18.1102
333 3BGD SAH 0.01684 0.40611 18.6441
334 1MXH DHF 0.000000003048 0.58684 18.8406
335 1MXH NAP 0.000000004823 0.58033 18.8406
336 2PZM NAD 0.000002252 0.50215 19.322
337 2PZM UDP 0.000002252 0.50215 19.322
338 1OC2 TDX 0.0000001756 0.47422 19.5402
339 1OC2 NAD 0.0000001756 0.47422 19.5402
340 1LSS NAD 0.001264 0.45406 21.4286
341 4CLO NAP 0.000000000657 0.68901 21.6949
342 4CME NAP 0.0000000006669 0.68175 21.6949
343 4CM9 NAP 0.0000000005003 0.67987 21.6949
344 5JDC NAP 0.0000000007846 0.67893 21.6949
345 4CM8 NAP 0.0000000008418 0.67771 21.6949
346 5JCJ NAP 0.0000000008436 0.67767 21.6949
347 4CM4 NAP 0.0000000009248 0.67608 21.6949
348 3BMQ NAP 0.0000000006386 0.67571 21.6949
349 3JQF NAP 0.00000000068 0.67464 21.6949
350 3BMO NAP 0.000000001019 0.67441 21.6949
351 4CLR NAP 0.000000001077 0.67344 21.6949
352 3JQ8 NAP 0.0000000008064 0.67174 21.6949
353 3JQA NAP 0.000000001865 0.67065 21.6949
354 4CMI NAP 0.000000001516 0.66753 21.6949
355 3JQ7 NAP 0.000000002447 0.66587 21.6949
356 3BMN NAP 0.000000001158 0.66557 21.6949
357 3JQG NAP 0.000000002607 0.66475 21.6949
358 3JQB NAP 0.000000003177 0.66127 21.6949
359 5K6A NAP 0.000000000446 0.57191 21.6949
360 3JQ9 NAP 0.000000001564 0.55763 21.6949
361 5JDI NAP 0.0000000008993 0.55715 21.6949
362 4CME KTZ 0.001019 0.4898 21.6949
363 5JCJ 6JM 0.001695 0.48932 21.6949
364 3JQB DX6 0.002694 0.47832 21.6949
365 4CLR FDB 0.002325 0.46069 21.6949
366 4CM8 IZ9 0.004134 0.45357 21.6949
367 3JQ7 DX2 0.007965 0.45268 21.6949
368 4CM4 4NR 0.008019 0.45224 21.6949
369 4CM9 YGL 0.008241 0.45174 21.6949
370 3JQF AX2 0.003217 0.44903 21.6949
371 3BMQ AX5 0.009928 0.4471 21.6949
372 4CLO XP0 0.01087 0.44224 21.6949
373 3BMO AX4 0.01358 0.43938 21.6949
374 3JQ8 DX3 0.01562 0.43757 21.6949
375 5JDC 6JP 0.01331 0.43581 21.6949
376 4CMI M4V 0.007961 0.43508 21.6949
377 3JQA DX4 0.009219 0.43049 21.6949
378 3JQG AX6 0.02285 0.42788 21.6949
379 3BMN AX3 0.03235 0.40615 21.6949
380 2FR1 NDP 0.00000003902 0.59487 22.0339
381 3U4C NDP 0.000000008706 0.52937 23.1317
382 5GT9 NAP 0.00000000003188 0.71942 23.5741
383 4Q9N NAI 0.0000000607 0.51864 23.7288
384 1SB8 UD2 0.0000001269 0.55616 25.0847
385 1SB8 NAD 0.0000002314 0.54171 25.0847
386 1W8D NAP 0.0000000003956 0.72096 25.4237
387 1W73 NAP 0.0000000004861 0.71715 25.4237
388 1W6U NAP 0.000000000156 0.55422 25.7627
389 2CFC NAD 0.00000000001138 0.75222 26
390 2CFC KPC 0.00002343 0.59498 26
391 5L53 NAP 0.000000001798 0.70878 26.1017
392 1D7O NAD 0.0000005896 0.52894 26.1017
393 4O0L NDP 0.0000000005015 0.6732 26.1818
394 4YAG NAI 0.000000001376 0.59347 26.2976
395 3GEG NAD 0.00000000005614 0.58537 26.3158
396 1N5D NDP 0.0000000008511 0.66433 26.3889
397 1H5Q NAP 0.00000000005178 0.71128 26.7925
398 1X1T NAD 0.00000000002336 0.71041 26.9231
399 3ZV6 NAD 0.0000000002088 0.62686 27.4021
400 3ZV6 4HB 0.0000000002384 0.61781 27.4021
401 1WMA AB3 0.0000000007487 0.62121 27.5362
402 1WMA NDP 0.0000000007487 0.59561 27.5362
403 1NFQ NAI 0.000000000005271 0.64146 27.6923
404 3HB5 NAP 0.00000000005286 0.59977 27.7966
405 3HB5 E2B 0.0000784 0.49512 27.7966
406 1BDB NAD 0.0000000009272 0.65054 27.7978
407 1ZK4 NAP 0.00000000005322 0.63481 27.8884
408 3AFN NAP 0.00000000003392 0.62369 27.907
409 1YXM ADE 0.00002995 0.59569 28.1356
410 2PD4 DCN 0.0000001414 0.52268 28.3636
411 2PD4 NAD 0.0000001564 0.52136 28.3636
412 1A27 NAP 0.000000007362 0.54063 28.3737
413 1GZ6 NAI 0.00000009947 0.58448 28.4746
414 1SNY NAP 0.000000004647 0.52872 28.4746
415 3VZS NAP 0.0000000003009 0.6024 28.7938
416 3VZS CAA 0.000000003923 0.48976 28.7938
417 4NBU NAI 0.00000000002348 0.72455 28.8
418 1VL8 NAP 0.00000000004525 0.69965 28.839
419 1ZEM NAD 0.000000001803 0.53727 29.3893
420 3A28 NAD 0.00000000008549 0.70998 29.4574
421 3AY6 NAI 0.00000000004331 0.67485 29.7398
422 3AY6 BGC 0.000000000467 0.5658 29.7398
423 2WYV NAD 0.0000005177 0.56159 29.8851
424 1JA9 NDP 0.000000000293 0.59076 29.927
425 2GDZ NAD 0.00000000001117 0.62027 29.9625
426 2DTX BMA 0.000000000004869 0.68433 30.303
427 1GEG NAD 0.00000000003844 0.7236 30.4688
428 4OHU NAD 0.0000001228 0.47963 31.1419
429 4OHU 2TK 0.0000001228 0.47963 31.1419
430 4ZU3 4SD 0.01542 0.43605 31.2775
431 1ZBQ NAD 0.00000002718 0.60084 31.5254
432 1OAA OAA 0.0000000000008862 0.68814 31.6602
433 4FN4 NAD 0.00000000009912 0.70745 31.8898
434 4J7U YTZ 0.000000000007529 0.68748 31.9444
435 4J7U NAP 0.000000000007529 0.68748 31.9444
436 2BD0 NAP 0.000000000003127 0.75062 31.9672
437 4CQM NAP 0.00000000007277 0.71272 31.9672
438 2BD0 BIO 0.0007035 0.49775 31.9672
439 2RH4 EMO 0.000000000004625 0.65075 32.491
440 1G0N PHH 0.00000000002468 0.66781 32.5088
441 1G0N NDP 0.00000000002823 0.65401 32.5088
442 3SJ7 NDP 0.00000000001963 0.60557 32.5397
443 1XG5 NAP 0.000000000004368 0.75275 32.6165
444 1XKQ NDP 0.00000000003752 0.7027 32.8571
445 1GEE NAD 0.0000000000186 0.73596 32.9502
446 3QWI CUE 0.0000000003587 0.62833 32.963
447 3QWI NAP 0.0000000001645 0.59755 32.963
448 4NBW NAD 0.00000000009016 0.57931 33.0739
449 4ITU NAI 0.0000000004223 0.66333 33.0855
450 4ITU 1HS 0.00000000004944 0.63998 33.0855
451 3ICC NAP 0.000000000004583 0.74431 33.3333
452 1IY8 NAD 0.000000000008371 0.74184 33.3333
453 2EWM NAD 0.00000000001632 0.73064 33.3333
454 2Q2V NAD 0.00000000003645 0.62248 33.3333
455 3OIG NAD 0.00000008437 0.60356 33.4586
456 3OIG IMJ 0.01171 0.43048 33.4586
457 1UAY ADN 0.000007902 0.58457 33.4711
458 4ZA2 NAD 0.00000000004806 0.72729 33.5968
459 1UZN NAP 0.000000159 0.43121 33.6032
460 3AI3 SOL 0.00005278 0.57162 33.8403
461 2WSB NAD 0.000000000007615 0.68295 33.8583
462 3D3W NAP 0.000000000005059 0.73529 34.4262
463 1PR9 NAP 0.000000000001148 0.66861 34.4262
464 2AE2 PTO 0.000000000000443 0.72473 34.6154
465 2AE2 NAP 0.000000000000443 0.72473 34.6154
466 4QED NAP 0.000000000377 0.57775 34.6774
467 5ITV NAI 0.000000000009692 0.73939 34.902
468 1EDO NAP 0.000000000007158 0.63797 35.2459
469 4NBT NAD 0.00000000001267 0.75036 35.8333
470 3WXB NDP 0.00000000008572 0.70283 35.8423
471 2B4Q NAP 0.0000000001573 0.69959 35.8696
472 1HDC CBO 0.000008931 0.40299 37.0079
473 5EPO NAP 0.000000001601 0.66005 37.0229
474 5EPO TUD 0.00001188 0.56267 37.0229
475 5T2U NAP 0.00000000000141 0.75606 37.5
476 3SJU NDP 0.00000000001568 0.73132 37.6344
477 1O5I NAD 0.000000007674 0.485 37.751
478 2JAH NDP 0.00000000001759 0.72939 38.0567
479 1XHL NDP 0.00000000005228 0.61227 38.3051
480 1AE1 NAP 0.000000000008541 0.64312 38.4615
481 3O03 NAP 0.00000000281 0.53632 38.488
482 3RKR NAP 0.00000001034 0.74961 38.5496
483 3NUG NAD 0.00000000001074 0.62747 38.8664
484 1Z6Z NAP 0.00000000002741 0.60885 39.0071
485 2AG5 NAD 0.00000000008307 0.59564 39.0244
486 2ZAT NAP 0.0000000001187 0.59208 39.2308
487 2JAP NDP 0.000000000009586 0.73957 39.2713
488 2JAP J01 0.005277 0.45731 39.2713
489 3TN7 NJP 0.000000000006965 0.63527 42.4125
490 1Q7B NAP 0.0000000007175 0.67373 42.623
491 5THQ NDP 0.000000000002465 0.63816 42.6471
492 2BGM NAJ 0.000000001766 0.54041 43.8849
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