Receptor
PDB id Resolution Class Description Source Keywords
4CJX 2.05 Å EC: 1.5.1.5 THE CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI N5, N10- METHYLENETETRAHYDROFOLATE DEHYDROGENASE-CYCLOHYDROLASE (FOLC OMPLEXED WITH NADP COFACTOR AND INHIBITOR TRYPANOSOMA BRUCEI BRUCEI STRAIN 927/4 GUTAT10.1 OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF 2,4-DIAMINO-6-OXO-1,6-DIHYDROPY 5-YL UREIDO BASED INHIBITORS OF TRYPANOSOMA BRUCEI TESTING FOR ANTIPARASITIC ACTIVITY. J.MED.CHEM. V. 58 7938 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1298;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
9L9 B:1298;
A:1300;
Valid;
Valid;
none;
none;
submit data
433.375 C17 H19 N7 O7 c1cc(...
NAP A:1301;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
PEG A:1299;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CJX 2.05 Å EC: 1.5.1.5 THE CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI N5, N10- METHYLENETETRAHYDROFOLATE DEHYDROGENASE-CYCLOHYDROLASE (FOLC OMPLEXED WITH NADP COFACTOR AND INHIBITOR TRYPANOSOMA BRUCEI BRUCEI STRAIN 927/4 GUTAT10.1 OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF 2,4-DIAMINO-6-OXO-1,6-DIHYDROPY 5-YL UREIDO BASED INHIBITORS OF TRYPANOSOMA BRUCEI TESTING FOR ANTIPARASITIC ACTIVITY. J.MED.CHEM. V. 58 7938 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4CJX - 9L9 C17 H19 N7 O7 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4CJX - 9L9 C17 H19 N7 O7 c1cc(ccc1C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DIA Ki = 455 uM L24 C21 H25 N5 O6 c1cc(ccc1C....
2 1A4I - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DIG Ki = 431 uM L37 C17 H19 N7 O7 c1cc(ccc1C....
4 3NGL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4CJX - 9L9 C17 H19 N7 O7 c1cc(ccc1C....
6 4B4W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4B4U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4B4V - L34 C20 H21 N7 O7 c1cc(ccc1C....
9 5TC4 ic50 = 663 nM L34 C20 H21 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9L9; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 9L9 1 1
2 L37 0.546512 0.84375
3 DXZ 0.494737 0.838235
4 DXY 0.494737 0.838235
5 83A 0.489796 0.757143
6 1YJ 0.484848 0.892308
7 THG 0.484848 0.892308
8 29C 0.475728 0.768116
9 29D 0.475728 0.768116
10 28Z 0.475728 0.768116
11 NHS 0.463918 0.809524
12 C2F 0.460784 0.819444
13 GHW 0.459184 0.722222
14 DHF 0.459184 0.892308
15 3Y9 0.459184 0.779412
16 LYA 0.458333 0.791045
17 FFO 0.456311 0.855072
18 FOL 0.45 0.791045
19 DZF 0.45 0.776119
20 3TZ 0.447619 0.708333
21 THF 0.446602 0.805556
22 LYB 0.442308 0.779412
23 GHC 0.435644 0.712329
24 1YA 0.424528 0.852941
25 MEF 0.424528 0.753247
26 3YA 0.421569 0.71831
27 FON 0.420561 0.855072
28 CB3 0.419048 0.742857
29 TMF 0.415094 0.76
30 TLL 0.410714 0.797297
31 U89 0.406504 0.725
32 21V 0.403846 0.811594
33 DDF 0.403846 0.811594
34 3YC 0.4 0.732394
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CJX; Ligand: 9L9; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 4cjx.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BG4 ARG 0.00852 0.42971 2.19436
2 1M2Z BOG 0.01878 0.42005 2.72374
3 5IBE 69M 0.01595 0.40329 5.32915
4 4X5S AZM 0.02593 0.40397 6.89655
5 5H86 BCO 0.007287 0.40904 8.92857
6 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.007332 0.40752 10.7884
7 1S9D AFB 0.01793 0.40132 12.3153
Pocket No.: 2; Query (leader) PDB : 4CJX; Ligand: 9L9; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4cjx.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CJX; Ligand: NAP; Similar sites found: 458
This union binding pocket(no: 3) in the query (biounit: 4cjx.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EV9 NAP 0.00009227 0.47701 0.760456
2 2EV9 SKM 0.00009227 0.47701 0.760456
3 5ITV NAI 0.001224 0.42999 0.784314
4 5L4S NAP 0.006925 0.40637 0.943396
5 5L4S 6KX 0.006925 0.40637 0.943396
6 3H4V DVP 0.002992 0.42674 1.04167
7 3H4V NAP 0.003609 0.42232 1.04167
8 1MXH NAP 0.002853 0.42348 1.44928
9 1MXH DHF 0.003125 0.42183 1.44928
10 2DFV NAD 0.00007478 0.47408 1.5674
11 4XB2 HSE 0.0002542 0.45912 1.5674
12 4XB2 NDP 0.000175 0.44815 1.5674
13 4MDH NAD 0.0003838 0.44572 1.5674
14 1KEW NAD 0.00192 0.44227 1.5674
15 5MDH NAD 0.0004148 0.43035 1.5674
16 2GCG NDP 0.001683 0.42157 1.5674
17 1KEW TYD 0.005687 0.42107 1.5674
18 2PZM NAD 0.005241 0.41739 1.5674
19 2PZM UDP 0.005241 0.41739 1.5674
20 4TQG NDP 0.002157 0.41725 1.5674
21 5JWC FAD 0.0003167 0.4041 1.5674
22 2YY7 NAD 0.004069 0.40885 1.60256
23 2BD0 NAP 0.005027 0.40638 1.63934
24 4O0L NDP 0.001032 0.40262 1.81818
25 1NVT NAP 0.0001114 0.45883 1.88088
26 4X9M FAD 0.0008629 0.44738 1.88088
27 4L8V NAP 0.0005444 0.44276 1.88088
28 2DBZ NAP 0.000684 0.43726 1.88088
29 5FI3 NAP 0.0001509 0.43493 1.88088
30 1COY FAD 0.002146 0.43182 1.88088
31 1COY AND 0.004343 0.43081 1.88088
32 2Z3Y F2N 0.003482 0.42492 1.88088
33 3IHG FAD 0.0009854 0.41346 1.88088
34 4UP4 GAL NAG 0.03296 0.40164 1.88088
35 5GT9 NAP 0.0025 0.41743 1.90114
36 2DKN NAI 0.002258 0.41645 1.96078
37 5TVA AMP 0.01574 0.41189 2.08333
38 4J7U YTZ 0.01172 0.40164 2.08333
39 4J7U NAP 0.01172 0.40164 2.08333
40 1VM6 NAD 0.0008469 0.42876 2.19298
41 2FZW NAD 0.0000439 0.50532 2.19436
42 4JDR FAD 0.00008082 0.49171 2.19436
43 2V3A FAD 0.000137 0.47838 2.19436
44 2BRY FAD 0.0001418 0.47091 2.19436
45 4TXI FAD 0.0001308 0.47085 2.19436
46 1CER NAD 0.0001167 0.45642 2.19436
47 1MV8 NAD 0.0001217 0.45606 2.19436
48 1MUU NAD 0.0001805 0.45528 2.19436
49 1D4D FAD 0.0007487 0.45319 2.19436
50 4GKV NAD 0.00001243 0.45287 2.19436
51 1QO8 FAD 0.0008574 0.44965 2.19436
52 2R4J 13P 0.00263 0.43719 2.19436
53 2R4J FAD 0.00263 0.43719 2.19436
54 4E5N NAD 0.0009915 0.4337 2.19436
55 1Z17 ILE 0.0145 0.42512 2.19436
56 5KVS 6XR 0.002232 0.42202 2.19436
57 4MO2 FDA 0.003785 0.41728 2.19436
58 4MO2 FAD 0.004107 0.41688 2.19436
59 5KVS NAP 0.001501 0.41509 2.19436
60 4IV9 FAD 0.006778 0.40981 2.19436
61 4BG4 ARG 0.02537 0.40886 2.19436
62 3GMB FAD 0.0008778 0.40618 2.19436
63 1BXK NAD 0.001429 0.40591 2.25352
64 1ORR NAD 0.001186 0.43325 2.30548
65 1O6Z NAD 0.00004297 0.47468 2.31023
66 4XDY NAI 0.00155 0.4134 2.36686
67 2CFC NAD 0.003676 0.40795 2.4
68 1P0F NAP 0.00003007 0.49681 2.50784
69 5H81 NAP 0.00007691 0.48271 2.50784
70 3WLE NAD 0.0001066 0.48025 2.50784
71 1ZMD FAD 0.0003818 0.46556 2.50784
72 5J60 FAD 0.0006351 0.45296 2.50784
73 4R5M NAP 0.0006445 0.4383 2.50784
74 4R5M 4NO 0.0009725 0.43404 2.50784
75 1UP7 NAD 0.0006514 0.43326 2.50784
76 1GY8 NAD 0.001242 0.42974 2.50784
77 4KQW NAP 0.002808 0.41918 2.50784
78 5T9F TYR 0.003668 0.41785 2.50784
79 1OBB NAD 0.001984 0.41721 2.50784
80 2GVC FAD 0.003317 0.41499 2.50784
81 5T9F NAP 0.004412 0.41341 2.50784
82 1VQW FAD 0.004282 0.41046 2.50784
83 2RGJ FAD 0.0003068 0.41036 2.50784
84 1ZMD NAI 0.003047 0.40678 2.50784
85 5E4R NAP 0.004212 0.40557 2.50784
86 4XDZ NDP 0.003748 0.40322 2.50784
87 2V6G NAP 0.006436 0.40077 2.50784
88 1PS9 FAD 0.001631 0.43684 2.53353
89 1PS9 NAP 0.002047 0.41518 2.53353
90 2HK9 ATR 0.00004773 0.53701 2.54545
91 2HK9 NAP 0.0001679 0.45043 2.54545
92 1XCL SAH 0.005011 0.40644 2.55319
93 1A8S PPI 0.01978 0.41527 2.5641
94 1NYT NAP 0.0005266 0.43691 2.58303
95 2CUL FAD 0.0008789 0.44115 2.58621
96 1HYH NAD 0.00002221 0.45817 2.589
97 1E3W NAD 0.001047 0.40611 2.68199
98 1P4V GLY 0.03055 0.40544 2.71186
99 1LLU NAD 0.000008796 0.52186 2.82132
100 2B4R NAD 0.0001192 0.47095 2.82132
101 3A06 NDP 0.0003887 0.4544 2.82132
102 3A06 FOM 0.0004557 0.45418 2.82132
103 2B4R AES 0.0003995 0.44818 2.82132
104 3GFB NAD 0.0001706 0.44508 2.82132
105 1YQD NAP 0.00064 0.44419 2.82132
106 4YNU FAD 0.00345 0.42603 2.82132
107 4YNU LGC 0.005025 0.42257 2.82132
108 2YVF FAD 0.03125 0.42017 2.82132
109 1LJ8 NAD 0.003046 0.41593 2.82132
110 4NBU NAI 0.00274 0.41581 2.82132
111 1M2W NAD 0.003607 0.40974 2.82132
112 4OOE NDP 0.00264 0.40487 2.82132
113 4PIV NDP 0.005123 0.40479 2.82132
114 4G74 FAD 0.0002203 0.4042 2.82132
115 1EZ4 NAD 0.00001456 0.50049 2.83019
116 5JE8 NAD 0.0002544 0.44939 2.98013
117 2GAG NAD 0.0004503 0.45565 3.0303
118 2GAG FOA 0.002786 0.4309 3.0303
119 2GAG FAD 0.002786 0.4309 3.0303
120 1EBF NAD 0.00001871 0.48941 3.1348
121 5LD5 NAD 0.0001181 0.47063 3.1348
122 1CDO NAD 0.00005542 0.4688 3.1348
123 5UAO FAD 0.0002695 0.46615 3.1348
124 4KP7 NAP 0.0007277 0.45769 3.1348
125 2WPF WPF 0.003048 0.45755 3.1348
126 5KMS NAD 0.001383 0.45334 3.1348
127 2WPF FAD 0.003962 0.45085 3.1348
128 4KP7 1UQ 0.001055 0.44688 3.1348
129 2QRK AMP 0.001738 0.43245 3.1348
130 5KMS FAD 0.004288 0.41392 3.1348
131 2YYY NAP 0.003239 0.41016 3.1348
132 1U8X NAD 0.002367 0.40625 3.1348
133 1C3V NDP 0.02362 0.40343 3.26531
134 1AE1 NAP 0.003821 0.41248 3.2967
135 4ITU 1HS 0.009075 0.40636 3.34572
136 4ITU NAI 0.007531 0.40042 3.34572
137 2PV7 NAD 0.0001768 0.44469 3.3557
138 1IY8 NAD 0.00672 0.40001 3.37079
139 3ICT ADP 0.0004797 0.48163 3.44828
140 3WQQ NDP 0.000459 0.46 3.44828
141 3WQQ IB3 0.000459 0.46 3.44828
142 5EOW FAD 0.0004111 0.45341 3.44828
143 1PN0 FAD 0.001297 0.44694 3.44828
144 1PN0 IPH 0.001362 0.44694 3.44828
145 3ZNN 4WL 0.002068 0.44491 3.44828
146 3ZNN FAD 0.002068 0.44491 3.44828
147 3LXD FAD 0.0009504 0.43975 3.44828
148 3ICS FAD 0.001178 0.43948 3.44828
149 3ICR FAD 0.001127 0.43912 3.44828
150 4EDF UPG 0.002218 0.43696 3.44828
151 1E3I CXF 0.00001886 0.43644 3.44828
152 1J49 NAD 0.0006258 0.41903 3.44828
153 3NTD FAD 0.003947 0.4176 3.44828
154 3NTA FAD 0.004181 0.41656 3.44828
155 3NT6 FAD 0.006944 0.40736 3.44828
156 4D3F NAP 0.0003727 0.43113 3.54839
157 1XG5 NAP 0.005403 0.40385 3.58423
158 4RQU NAD 0.000005823 0.52028 3.76176
159 2VHW NAI 0.00001928 0.51093 3.76176
160 4GUT FAD 0.001257 0.44659 3.76176
161 4HSU FAD 0.001248 0.44479 3.76176
162 3LAD FAD 0.001346 0.44139 3.76176
163 2CVQ NDP 0.0001534 0.44116 3.76176
164 3AYI FAD 0.003289 0.43298 3.76176
165 3AYI HCI 0.003431 0.43298 3.76176
166 3ITJ FAD 0.003735 0.42895 3.76176
167 4UP3 FAD 0.002652 0.42693 3.76176
168 4YCA NDP 0.0009091 0.4226 3.76176
169 4UP3 NDP 0.001466 0.40919 3.76176
170 1LDN NAD 0.0000259 0.49778 3.79747
171 3TWO NDP 0.000124 0.47616 4.07523
172 1J0X NAD 0.0002645 0.47231 4.07523
173 3CIF NAD 0.00009723 0.47125 4.07523
174 1YKJ PHB 0.0008436 0.46582 4.07523
175 1YKJ FAD 0.0008436 0.46582 4.07523
176 3QVP FAD 0.0004164 0.46397 4.07523
177 2E5V FAD 0.000488 0.46105 4.07523
178 4PLG OXM 0.004125 0.44444 4.07523
179 4PLG NAI 0.004125 0.44444 4.07523
180 3G5S FAD 0.0009956 0.44135 4.07523
181 3NKS FAD 0.00101 0.44109 4.07523
182 3KB6 NAD 0.0004908 0.42789 4.07523
183 3CIF G3H 0.001987 0.42656 4.07523
184 4YAG NAI 0.003166 0.4257 4.07523
185 2O4C NAD 0.001735 0.42385 4.07523
186 5CAE COA 0.001383 0.42352 4.07523
187 1YS4 NAP 0.001358 0.40953 4.07523
188 5GZ6 NDP 0.00545 0.40845 4.07523
189 1WPQ NAD 0.002218 0.40572 4.07523
190 4OSP NAP 0.001226 0.40843 4.18251
191 5AYV KPL 0.001843 0.42791 4.20712
192 5AYV NAP 0.002417 0.40369 4.20712
193 1U7T NAD 0.002462 0.40139 4.21456
194 2AE2 NAP 0.003695 0.42088 4.23077
195 2AE2 PTO 0.003695 0.42088 4.23077
196 4J4H 1J1 0.00008949 0.49559 4.2471
197 4J4H NAI 0.00008949 0.49559 4.2471
198 4JK3 NAD 0.00003501 0.48536 4.2471
199 1KYQ NAD 0.0002074 0.48298 4.37956
200 3ETG NDP 0.00002882 0.52306 4.38871
201 2CDC NAP 0.00006408 0.51697 4.38871
202 2CDC XYS 0.00006408 0.51697 4.38871
203 3ETG GLU 0.00004337 0.51536 4.38871
204 2CDC XYP 0.00007959 0.51279 4.38871
205 3ETG GTP 0.00005288 0.50307 4.38871
206 3CGD FAD 0.001857 0.45906 4.38871
207 3CGD COA 0.001857 0.45906 4.38871
208 3CGD NAD 0.001857 0.45906 4.38871
209 3B20 NAD 0.0001263 0.45659 4.38871
210 2D2I NAP 0.0004981 0.44501 4.38871
211 2HQM FAD 0.001716 0.43693 4.38871
212 1X87 NAD 0.001579 0.42447 4.38871
213 4C3Y FAD 0.004859 0.41687 4.38871
214 4C3Y ANB 0.008683 0.41069 4.38871
215 1WP4 NDP 0.0007941 0.43312 4.49827
216 2CVZ NDP 0.00137 0.41591 4.49827
217 3BY9 SIN 0.02857 0.40793 4.61538
218 1YJQ NAP 0.0006477 0.44398 4.62046
219 1PL6 572 0.00006391 0.4835 4.70219
220 3ABI NAD 0.00008543 0.47518 4.70219
221 1PL6 NAD 0.00002319 0.47118 4.70219
222 2VYN NAD 0.00004561 0.45853 4.70219
223 5EZ7 FAD 0.0006058 0.45268 4.70219
224 3WGT QSC 0.001695 0.44286 4.70219
225 1RSG FAD 0.001298 0.44206 4.70219
226 3WGT FAD 0.001832 0.44052 4.70219
227 2RGO FAD 0.008546 0.40257 4.70219
228 2WSB NAD 0.002445 0.42841 4.72441
229 1B8U OAA 0.01193 0.41793 4.86322
230 1B8U NAD 0.007328 0.41299 4.86322
231 1I36 NAP 0.0004304 0.42769 4.92424
232 4M52 FAD 0.00265 0.42897 4.93562
233 3IA4 MTX 0.01688 0.40291 4.93827
234 4CQM NAP 0.001685 0.40023 4.98084
235 1LSS NAD 0.0004516 0.45457 5
236 2WET FAD 0.0003063 0.46738 5.01567
237 2B9W FAD 0.005288 0.42633 5.01567
238 2I3G NAP 0.0002462 0.42283 5.01567
239 3IP5 ALA 0.01664 0.42177 5.01567
240 5TUK FAD 0.001156 0.41383 5.01567
241 3FG2 FAD 0.0004663 0.40362 5.01567
242 4BVA NDP 0.00003855 0.49079 5.07463
243 4BVA T3 0.00008664 0.48666 5.07463
244 2VT3 ATP 0.0001862 0.40602 5.11628
245 3VPH OXM 0.00003176 0.50051 5.16129
246 3VPH NAD 0.0000328 0.49687 5.16129
247 3QFA FAD 0.003199 0.42551 5.17241
248 2GZ3 NAP 0.0002926 0.47562 5.32915
249 1OMO NAD 0.00007664 0.47408 5.32915
250 1Q9I FAD 0.0009216 0.46026 5.32915
251 1Q9I TEO 0.0009216 0.46026 5.32915
252 1V59 FAD 0.0007934 0.45415 5.32915
253 2XVE FAD 0.00161 0.45195 5.32915
254 5VKT NAP 0.0004713 0.44529 5.32915
255 4RSL FAD 0.001535 0.43238 5.32915
256 5DN9 NAD 0.001255 0.43224 5.32915
257 4BV6 FAD 0.002194 0.43141 5.32915
258 1UWK URO 0.003146 0.42866 5.32915
259 1UWK NAD 0.003146 0.42866 5.32915
260 2JB2 PHE 0.00385 0.42013 5.32915
261 2JB2 FAD 0.003656 0.42005 5.32915
262 3F8D FAD 0.01185 0.41921 5.32915
263 4REP FAD 0.005238 0.41351 5.32915
264 3GD4 NAD 0.003083 0.41254 5.32915
265 1W73 NAP 0.00263 0.41228 5.32915
266 1W8D NAP 0.001847 0.41179 5.32915
267 1JNR FAD 0.001815 0.45771 5.33333
268 2F1K NAP 0.0001723 0.45788 5.37634
269 3GGO NAI 0.0003014 0.46768 5.41401
270 3GGO ENO 0.0003014 0.46768 5.41401
271 3QWI CUE 0.003425 0.42328 5.55556
272 3QWI NAP 0.002244 0.42065 5.55556
273 2JHF NAD 0.000287 0.51743 5.64263
274 3CMC NAD 0.0007077 0.47139 5.64263
275 1WDK NAD 0.0001321 0.46864 5.64263
276 3UOY NAP 0.001026 0.46492 5.64263
277 3UOY FAD 0.001026 0.46492 5.64263
278 3CTY FAD 0.0005133 0.46117 5.64263
279 3E1T FAD 0.0005393 0.45922 5.64263
280 3KLJ FAD 0.0003894 0.453 5.64263
281 1DJN ADP 0.0003439 0.45161 5.64263
282 5J7X FAD 0.001025 0.442 5.64263
283 2CDU FAD 0.0009659 0.4407 5.64263
284 2J5V PCA 0.02942 0.42286 5.64263
285 3JQF NAP 0.001834 0.4215 5.64263
286 3BMQ NAP 0.00186 0.42125 5.64263
287 4CM9 NAP 0.002206 0.41827 5.64263
288 4CME NAP 0.00209 0.41779 5.64263
289 5K6A NAP 0.002272 0.41775 5.64263
290 3BMO NAP 0.002148 0.41731 5.64263
291 4CLR NAP 0.002228 0.41668 5.64263
292 1U3U BNF 0.00001395 0.41443 5.64263
293 1U3U NAD 0.00001395 0.41443 5.64263
294 4CLO NAP 0.002404 0.41391 5.64263
295 5JDC NAP 0.002824 0.41254 5.64263
296 3JQ9 NAP 0.00308 0.41242 5.64263
297 5JDI NAP 0.003004 0.41147 5.64263
298 3JQA NAP 0.0029 0.41065 5.64263
299 4RPL FAD 0.01553 0.41039 5.64263
300 1XHC FAD 0.0001411 0.40961 5.64263
301 4RPL 3UC 0.01913 0.40813 5.64263
302 5EVY FAD 0.004079 0.40755 5.64263
303 2CDU ADP 0.0005239 0.40585 5.64263
304 3JQB NAP 0.002482 0.40054 5.64263
305 5MW4 5JU 0.01139 0.40032 5.64263
306 1H5Q NAP 0.0006018 0.40933 5.66038
307 3AD8 NAD 0.0004125 0.45335 5.69307
308 3AD8 FAD 0.005221 0.43276 5.69307
309 3AD8 PYC 0.005221 0.43276 5.69307
310 5THQ NDP 0.001718 0.42265 5.88235
311 5UAV TFB 0.0001492 0.47421 5.95611
312 5UAV NDP 0.0001492 0.47421 5.95611
313 1D1T NAD 0.000009713 0.46652 5.95611
314 3UCL NAP 0.002991 0.44484 5.95611
315 3UCL FAD 0.002825 0.44398 5.95611
316 3UCL CYH 0.002825 0.44398 5.95611
317 1X14 NAD 0.002248 0.43607 5.95611
318 4USR FAD 0.004749 0.40862 5.95611
319 3I6I NDP 0.009201 0.40226 5.95611
320 5JCM ISD 0.005578 0.43084 5.9867
321 5JCM FAD 0.005393 0.43084 5.9867
322 5JCM NAD 0.005772 0.43018 5.9867
323 4D42 W0I 0.01193 0.40716 6.02837
324 4D42 NAP 0.01193 0.40716 6.02837
325 5N2I NAP 0.0008148 0.41583 6.03448
326 2G5C NAD 0.0007195 0.41206 6.04982
327 1NVM NAD 0.000324 0.45337 6.08974
328 2Q0L NAP 0.004129 0.42794 6.10932
329 5O4J SAH 0.003076 0.41756 6.20438
330 5O4J 9KH 0.003076 0.41756 6.20438
331 5O4J PJL 0.003223 0.4155 6.20438
332 2F5Z FAD 0.0002708 0.47188 6.25
333 4RDH AMP 0.001543 0.44776 6.25
334 2HJR APR 0.0000187 0.48416 6.26959
335 2Q7V FAD 0.0005299 0.45737 6.26959
336 3V1Y NAD 0.000356 0.43772 6.26959
337 1I8T FAD 0.004004 0.41839 6.26959
338 1U1I NAD 0.006719 0.40361 6.26959
339 5KKA 6V0 0.0001069 0.47442 6.41026
340 3NUG NAD 0.006104 0.4017 6.47773
341 1GQ2 NAP 0.000006739 0.51774 6.58307
342 1YQZ FAD 0.001948 0.44756 6.58307
343 1PJS NAD 0.00009662 0.43516 6.58307
344 1CF2 NAP 0.0007333 0.43289 6.58307
345 2VZ0 NAP 0.006949 0.4325 6.71642
346 2VZ0 D64 0.006949 0.4325 6.71642
347 2WD7 NAP 0.002082 0.41786 6.71642
348 3NJ4 AFX 0.000212 0.51839 6.89655
349 3NJ4 NAD 0.0002339 0.51638 6.89655
350 5U8U FAD 0.0009435 0.46513 6.89655
351 3AB1 FAD 0.0003869 0.46198 6.89655
352 4J36 1HR 0.001402 0.44166 6.89655
353 4J36 FAD 0.0008046 0.44013 6.89655
354 4EIP FAD 0.004696 0.42212 6.89655
355 4EIP K2C 0.004696 0.42212 6.89655
356 1Y8Q ATP 0.003839 0.40863 6.89655
357 2DC1 NAD 0.0002204 0.44021 7.20339
358 1MO9 KPC 0.003274 0.44901 7.21003
359 1MO9 FAD 0.003885 0.44507 7.21003
360 1GET NAP 0.006164 0.43079 7.21003
361 1GET FAD 0.005847 0.43056 7.21003
362 2V3B FAD 0.0001167 0.47997 7.27273
363 3HAD NAD 0.0005424 0.46412 7.46753
364 1X7D ORN 0.000267 0.46506 7.52351
365 1X7D NAD 0.0003083 0.45115 7.52351
366 2VVM FAD 0.001785 0.43413 7.52351
367 4FC7 NAP 0.003482 0.42396 7.58123
368 4FC7 COA 0.003482 0.42396 7.58123
369 5N53 8NB 0.0324 0.40559 7.69231
370 4OPC PGT 0.002115 0.46771 7.83699
371 4OPC FDA 0.001924 0.46636 7.83699
372 1FEC FAD 0.0008867 0.45306 7.83699
373 5FJN FAD 0.000826 0.45034 7.83699
374 5FJN BE2 0.0009748 0.45034 7.83699
375 4CNK FAD 0.002251 0.42776 7.83699
376 1PZG A3D 0.00003932 0.49956 7.85498
377 4J56 FAD 0.002405 0.43269 7.89474
378 1GUZ NAD 0.00002547 0.49458 8.06452
379 4MIG G3F 0.0003898 0.47028 8.15047
380 1BW9 NAD 0.00006368 0.4593 8.42697
381 1BXG NAD 0.0003 0.44831 8.42697
382 1C1X NAD 0.00009474 0.46819 8.4507
383 9LDT NAD 0.02108 0.40565 8.46395
384 9LDB NAD 0.02122 0.40552 8.46395
385 5GUD NDP 0.0001406 0.40259 8.46395
386 4K28 NAD 0.00005749 0.47491 8.55019
387 2H92 C5P 0.01056 0.41262 8.6758
388 4YRY FAD 0.001238 0.44291 8.69565
389 4YRY NAD 0.002271 0.44077 8.69565
390 1GV0 NAD 0.01806 0.40747 8.70968
391 4EMI NAD 0.001585 0.45226 8.77743
392 5G3U FDA 0.001669 0.43317 8.77743
393 4EMI FAD 0.002148 0.42861 8.77743
394 2NAD NAD 0.002555 0.42206 8.77743
395 5G3U ITW 0.004637 0.42057 8.77743
396 4HA6 FAD 0.007689 0.41032 8.77743
397 1P31 EPU 0.007956 0.40775 8.77743
398 1PR9 NAP 0.003312 0.41502 9.01639
399 3D3W NAP 0.003845 0.41237 9.01639
400 3JV7 NAD 0.0001619 0.46399 9.09091
401 1ZEM NAD 0.0003828 0.43694 9.16031
402 2YVJ FAD 0.00154 0.43349 9.17431
403 2YVJ NAI 0.0003887 0.41736 9.17431
404 5JY6 NAD 0.0003517 0.47316 9.40439
405 1SC6 NAD 0.002268 0.42046 9.40439
406 4HXY NDP 0.0003901 0.41734 9.40439
407 1F06 2NP 0.007223 0.40232 9.40439
408 1F06 NDP 0.007223 0.40232 9.40439
409 1O94 ADP 0.0002183 0.44759 9.4697
410 1KEV NDP 0.0003768 0.45496 9.71787
411 2Y6Q I7T 0.002482 0.43397 9.71787
412 2Y6Q FAD 0.001102 0.43322 9.71787
413 2DT5 NAD 0.0002257 0.4358 9.95261
414 2IID PHE 0.001502 0.44938 10.0313
415 2IID FAD 0.001502 0.44938 10.0313
416 1Z82 NDP 0.001087 0.41416 10.0313
417 1F8G NAD 0.004877 0.40737 10.0313
418 4RVU NDP 0.006248 0.40491 10.0313
419 4FN4 NAD 0.005859 0.40114 10.2362
420 3OJO NAD 0.0001121 0.47157 10.3448
421 1E1M FAD 0.001605 0.44732 10.3448
422 1E1M NAP 0.001605 0.44732 10.3448
423 1E6E FAD 0.0007163 0.44607 10.3448
424 2OOR NAD 0.004586 0.40849 10.4167
425 1NM5 NAD 0.01354 0.40629 10.4167
426 1YKF NAP 0.0002312 0.43077 10.6583
427 5JCA NDP 0.005265 0.42996 10.6583
428 5JCA FAD 0.002793 0.428 10.6583
429 1UXG NAD 0.01466 0.42029 10.6796
430 1UXG FUM 0.01466 0.42029 10.6796
431 1VI2 NAD 0.000187 0.4412 11.6667
432 5U5G NAP 0.00154 0.42312 11.8644
433 2A92 NAI 0.0001331 0.47054 11.9122
434 1NPD NAD 0.0001272 0.46522 12.1528
435 5BUK FAD 0.0002587 0.4738 12.2257
436 1YRO UDP 0.001896 0.48101 13.0081
437 1FTH A3P 0.03593 0.40146 13.1148
438 5TUF FAD 0.0006465 0.40634 13.1661
439 5MBX SP5 0.003332 0.43432 13.4796
440 5MBX FAD 0.003332 0.43432 13.4796
441 1V8B NAD 0.00001713 0.51305 13.7931
442 1RYI FAD 0.02487 0.41246 13.7931
443 5BSH PRO 0.002148 0.42142 14.0794
444 3OND NAD 0.00004291 0.51033 14.4201
445 3OND ADN 0.00004291 0.51033 14.4201
446 5MZI FAD 0.0005363 0.47217 14.4201
447 5MZI FYK 0.0005591 0.47217 14.4201
448 1P77 ATR 0.0006454 0.49299 15.0735
449 3SQP FAD 0.004851 0.4654 15.3605
450 3L4S NAD 0.0004554 0.40876 15.3605
451 3L4S 3PG 0.0004929 0.4033 15.3605
452 3OID NDP 0.005192 0.40703 17.0543
453 4ZGS NAD 0.0009576 0.42303 17.5549
454 4YSX FAD 0.0005009 0.45728 21.8085
455 5M67 ADE 0.00003173 0.51705 27.8997
456 5M67 NAD 0.00003506 0.51519 27.8997
457 5M67 3D1 0.00003627 0.51455 27.8997
458 3QV1 NAD 0.000126 0.46145 34.1463
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