Receptor
PDB id Resolution Class Description Source Keywords
1DIA 2.2 Å EC: 1.5.1.5 HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY249543 HOMO SAPIENS TETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE NADP INHIBITOR ROSSMANN FOLD OXIDOREDUCTASEHYDROLASE
Ref.: STRUCTURES OF THREE INHIBITOR COMPLEXES PROVIDE INSIGHT INTO THE REACTION MECHANISM OF THE HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE. BIOCHEMISTRY V. 39 6325 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L24 A:3001;
Valid;
none;
Ki = 455 uM
443.453 C21 H25 N5 O6 c1cc(...
NAP A:2001;
B:2002;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DIG 2.2 Å EC: 1.5.1.5 HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY374571 HOMO SAPIENS TETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE NADP INHIBITOR ROSSMANN FOLD OXIDOREDUCTASEHYDROLASE
Ref.: STRUCTURES OF THREE INHIBITOR COMPLEXES PROVIDE INSIGHT INTO THE REACTION MECHANISM OF THE HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE. BIOCHEMISTRY V. 39 6325 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
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: L24; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 L24 1 1
2 DDF 0.543689 0.8
3 21V 0.543689 0.8
4 THH 0.477064 0.828571
5 L34 0.468468 0.805556
6 GPB 0.439252 0.8
7 6DD 0.40708 0.859375
8 L37 0.403846 0.830769
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 : 1DIG; Ligand: NAP; 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: 1dig.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DIG; Ligand: L37; Similar sites found: 196
This union binding pocket(no: 2) in the query (biounit: 1dig.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HKU NAD 0.001535 0.4145 0.653595
2 1SOW NAD 0.00006174 0.45679 1.30719
3 2DFV NAD 0.0002589 0.42358 1.30719
4 5LD5 NAD 0.0002508 0.4684 1.63399
5 1J49 NAD 0.0005547 0.41376 1.63399
6 4D52 GXL 0.04294 0.4067 1.63399
7 4RDH AMP 0.01205 0.41525 1.73611
8 4D79 ATP 0.01312 0.40695 1.81159
9 1V6A TRE 0.001241 0.49172 1.96078
10 1EZ4 NAD 0.00009403 0.47431 1.96078
11 5GZ6 NDP 0.0008705 0.45287 1.96078
12 5GZ6 7C3 0.0009691 0.44355 1.96078
13 1OMO NAD 0.00003246 0.44 1.96078
14 1LLU NAD 0.0002052 0.43695 1.96078
15 1BW9 NAD 0.003437 0.42339 1.96078
16 1C1X NAD 0.002274 0.41878 1.96078
17 1KOL NAD 0.002138 0.40784 1.96078
18 5TUF FAD 0.002068 0.40714 1.96078
19 1ZMD NAI 0.00693 0.40457 1.96078
20 2F1K NAP 0.001053 0.43222 2.15054
21 2HJR APR 0.00008452 0.48838 2.28758
22 1HYH NAD 0.0003611 0.4381 2.28758
23 4RQU NAD 0.0002052 0.42836 2.28758
24 1GAD NAD 0.0004262 0.41012 2.28758
25 4DPL NAP 0.002718 0.40767 2.28758
26 2VYN NAD 0.0008189 0.40632 2.28758
27 1SC6 NAD 0.001717 0.40497 2.28758
28 1YKJ FAD 0.009488 0.4036 2.28758
29 3CMC NAD 0.01145 0.40221 2.28758
30 2DT5 NAD 0.00009512 0.46674 2.36967
31 1J5P NAD 0.001223 0.4266 2.37154
32 1P77 ATR 0.007185 0.44751 2.57353
33 1OBB NAD 0.001488 0.43239 2.61438
34 3CIF G3H 0.00149 0.40991 2.61438
35 3CIF NAD 0.0008268 0.40671 2.61438
36 5H81 NAP 0.0003491 0.46623 2.94118
37 9LDB NAD 0.0002508 0.44404 2.94118
38 9LDT NAD 0.0002452 0.43205 2.94118
39 1NVM NAD 0.0005569 0.43103 2.94118
40 1P0F NAP 0.0006626 0.41987 2.94118
41 3BAZ NAP 0.002949 0.41708 2.94118
42 1DXY NAD 0.0003131 0.41669 2.94118
43 3V1Y NAD 0.002661 0.41604 2.94118
44 4E5N NAD 0.0008688 0.41329 2.94118
45 1PGP 6PG 0.00225 0.40702 2.94118
46 5DN9 NAD 0.001988 0.40535 2.94118
47 4J4H 1J1 0.00007621 0.47352 3.0888
48 4J4H NAI 0.00007621 0.47352 3.0888
49 1G6H ADP 0.04203 0.40331 3.11284
50 2WQ4 SFU 0.03539 0.41715 3.20513
51 3WV8 ATP 0.01224 0.40527 3.21101
52 1GV0 NAD 0.00002207 0.46521 3.26797
53 1GUZ NAD 0.0000264 0.4582 3.26797
54 2QRK AMP 0.0003002 0.44181 3.26797
55 4XB2 HSE 0.0005263 0.42362 3.26797
56 5CAE COA 0.003001 0.4197 3.26797
57 4XB2 NDP 0.0003269 0.40601 3.26797
58 1YKF NAP 0.003145 0.40524 3.26797
59 4MZU TDR 0.02572 0.4006 3.26797
60 4JK3 NAD 0.00001661 0.4573 3.4749
61 4LWU 20U 0.01105 0.42068 3.52941
62 1O0S NAI 0.00006938 0.49201 3.59477
63 2CDC XYP 0.0001806 0.47362 3.59477
64 2CDC XYS 0.0001891 0.47282 3.59477
65 2CDC NAP 0.0001891 0.47282 3.59477
66 1LDM NAD 0.00008915 0.46432 3.59477
67 2IZ1 ATR 0.00654 0.44919 3.59477
68 2GZ3 NAP 0.0003988 0.44801 3.59477
69 1X7D ORN 0.0003508 0.43806 3.59477
70 1EBF NAD 0.00004809 0.43613 3.59477
71 1X7D NAD 0.0002051 0.42894 3.59477
72 3IP5 ALA 0.0196 0.42553 3.59477
73 1J0X NAD 0.002576 0.41224 3.59477
74 1YQD NAP 0.001341 0.41157 3.59477
75 2HK9 NAP 0.0005687 0.40836 3.63636
76 3B1F NAD 0.001162 0.4437 3.7931
77 1A5Z NAD 0.001113 0.44452 3.92157
78 3ETG GLU 0.002025 0.42424 3.92157
79 2I3G NAP 0.0009863 0.42171 3.92157
80 1M2W NAD 0.003298 0.42102 3.92157
81 1CDO NAD 0.0002025 0.42066 3.92157
82 5FI3 NAP 0.001293 0.41999 3.92157
83 3ETG GTP 0.002069 0.41682 3.92157
84 2GSD NAD 0.001868 0.40881 3.92157
85 1MUU NAD 0.005481 0.40607 3.92157
86 3NHB ADP 0.0491 0.40393 3.92157
87 5OFW 9TW 0.01728 0.42845 4.03587
88 3WLE NAD 0.000296 0.4395 4.24837
89 3H9E NAD 0.000852 0.4359 4.24837
90 1B8U OAA 0.0006837 0.41974 4.24837
91 4OOE NDP 0.002761 0.4154 4.24837
92 1TB4 PEJ 0.002389 0.40981 4.24837
93 3A06 FOM 0.0019 0.40974 4.24837
94 1KEV NDP 0.001213 0.4096 4.24837
95 4R5M NAP 0.002934 0.40895 4.24837
96 2NAD NAD 0.001906 0.40849 4.24837
97 3A06 NDP 0.00181 0.40809 4.24837
98 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.01821 0.40665 4.24837
99 4R5M 4NO 0.002553 0.40619 4.24837
100 1SAY PYR 0.00257 0.40253 4.24837
101 4R2I ANP 0.01686 0.42757 4.28571
102 4JBI NDP 0.006083 0.40421 4.32432
103 3VPH NAD 0.0004034 0.43055 4.57516
104 3VPH OXM 0.0004888 0.41923 4.57516
105 4KP7 NAP 0.003102 0.41284 4.57516
106 4KP7 1UQ 0.003031 0.40956 4.57516
107 3OND ADN 0.0000971 0.4028 4.57516
108 3OND NAD 0.0000971 0.4028 4.57516
109 5N53 8NB 0.02355 0.42161 4.61538
110 5JE8 NAD 0.004065 0.41138 4.63576
111 5TCI MLI 0.03353 0.41112 4.71014
112 4X5S AZM 0.03984 0.40718 4.74138
113 5D4V SAH 0.004027 0.42042 4.85075
114 2FZW NAD 0.0002832 0.44855 4.90196
115 1CER NAD 0.001787 0.42298 4.90196
116 3GGO ENO 0.001483 0.42032 4.90196
117 3GGO NAI 0.001483 0.42032 4.90196
118 1H2B NAJ 0.001069 0.41516 4.90196
119 3L4S NAD 0.001459 0.40731 4.90196
120 3L4S 3PG 0.001984 0.40538 4.90196
121 3B1J NAD 0.003241 0.40475 4.90196
122 1V8B NAD 0.00009544 0.45762 5.22876
123 2O4C NAD 0.001957 0.40033 5.22876
124 1O6Z NAD 0.00003522 0.43726 5.28053
125 1GQ2 NAP 0.0001076 0.46467 5.55556
126 3ABI NAD 0.0004709 0.43674 5.55556
127 2YVJ NAI 0.005408 0.42461 5.55556
128 1PL6 572 0.0006852 0.4194 5.55556
129 1PL6 NAD 0.0001044 0.4121 5.55556
130 2GV8 NDP 0.005275 0.40951 5.55556
131 2ZJ1 NAD 0.0000513 0.40341 5.55556
132 2ZJ1 ARJ 0.00005583 0.40107 5.55556
133 1VI2 NAD 0.001208 0.44299 5.66667
134 2PV7 NAD 0.00263 0.41347 5.7047
135 1I0Z NAI 0.0001602 0.4546 5.88235
136 1HDG NAD 0.0009558 0.43707 5.88235
137 1LTH NAD 0.00006178 0.42893 5.88235
138 2B5W NAP 0.0003704 0.42418 5.88235
139 1NPD NAD 0.0005785 0.44944 5.90278
140 1T26 NAI 0.00004056 0.47928 6.20915
141 1PZG A3D 0.0001838 0.42635 6.20915
142 3TWO NDP 0.00159 0.40226 6.20915
143 1ZQ9 SAM 0.0139 0.4058 6.31579
144 1JAY NAP 0.007766 0.40809 6.60377
145 3NOJ PYR 0.02503 0.40224 6.72269
146 1E3I CXF 0.0001886 0.42975 6.86275
147 2EV9 SKM 0.0008074 0.42224 6.86275
148 2EV9 NAP 0.0008074 0.41682 6.86275
149 1NYT NAP 0.0002639 0.4599 7.01107
150 3NJ4 NAD 0.0006369 0.47488 7.18954
151 3NJ4 AFX 0.001071 0.46522 7.18954
152 1F8F NAD 0.0001819 0.41842 7.18954
153 4YCA NDP 0.004027 0.40881 7.48299
154 1O94 ADP 0.001453 0.43281 7.51634
155 4W6Z 8ID 0.0004552 0.43262 7.84314
156 3QV9 QV7 0.03548 0.41169 7.84314
157 1VM6 NAD 0.000132 0.42261 7.89474
158 4MDH NAD 0.001394 0.42436 8.16993
159 5UAV NDP 0.001159 0.41765 8.16993
160 5UAV TFB 0.001159 0.41765 8.16993
161 5MDH NAD 0.000856 0.40585 8.16993
162 5KVS NAP 0.000964 0.44022 8.49673
163 3JV7 NAD 0.0004099 0.43903 8.49673
164 2GCG NDP 0.002373 0.41254 8.49673
165 3OA2 NAD 0.003337 0.40678 8.49673
166 1C3V NDP 0.0002407 0.44471 8.57143
167 1UXG NAD 0.00004964 0.47085 8.82353
168 1U3U BNF 0.0001516 0.45769 8.82353
169 2VHW NAI 0.00009595 0.45754 8.82353
170 1U3U NAD 0.0001516 0.41065 8.82353
171 4K28 NAD 0.00006677 0.48427 8.92193
172 4GKV NAD 0.0003885 0.43252 9.15033
173 4PLG NAI 0.00005941 0.4666 9.80392
174 4MP8 NAD 0.0001012 0.45804 9.80392
175 4PLG OXM 0.01582 0.40308 9.80392
176 2CVQ NDP 0.0003928 0.44285 10.4575
177 4KOA NDP 0.007014 0.42288 10.4575
178 5VKT NAP 0.0008008 0.42793 10.4972
179 3GFB NAD 0.0003458 0.44825 10.7843
180 5KKA 6V0 0.0006981 0.42458 10.7843
181 3T31 DCQ 0.005582 0.40931 11.4379
182 3T31 FAD 0.006225 0.40597 11.4379
183 2A92 NAI 0.00004457 0.46192 11.7647
184 1LVL NAD 0.003386 0.42693 11.7647
185 1GR0 NAD 0.001273 0.41368 12.0915
186 4BVA T3 0.0001257 0.45585 12.4183
187 4BVA NDP 0.00005449 0.45547 12.4183
188 4XZ3 COA 0.0007606 0.448 13.913
189 5M67 3D1 0.00003366 0.48932 14.0523
190 5M67 NAD 0.00003798 0.4873 14.0523
191 5M67 ADE 0.00006023 0.4796 14.0523
192 1D1T NAD 0.0000814 0.45906 14.3791
193 1M2Z BOG 0.0482 0.40396 14.3969
194 3QV1 NAD 0.001241 0.43244 15.8537
195 1NVT NAP 0.0001847 0.41881 17.4216
196 1LDN NAD 0.0004698 0.42236 22.8758
Pocket No.: 3; Query (leader) PDB : 1DIG; Ligand: NAP; Similar sites found: 213
This union binding pocket(no: 3) in the query (biounit: 1dig.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HKU NAD 0.002013 0.40878 0.653595
2 1SOW NAD 0.00005128 0.46491 1.30719
3 2DFV NAD 0.0002379 0.42894 1.30719
4 5LD5 NAD 0.0002304 0.4685 1.63399
5 1J49 NAD 0.0006355 0.41581 1.63399
6 4D52 GXL 0.04121 0.4067 1.63399
7 4RDH AMP 0.0114 0.41525 1.73611
8 4D79 ATP 0.01238 0.40695 1.81159
9 1V6A TRE 0.001174 0.49172 1.96078
10 1EZ4 NAD 0.0001108 0.46994 1.96078
11 5GZ6 NDP 0.0008108 0.45287 1.96078
12 1OMO NAD 0.0000297 0.44627 1.96078
13 5GZ6 7C3 0.0009005 0.44355 1.96078
14 1LLU NAD 0.0001546 0.43845 1.96078
15 1BW9 NAD 0.003376 0.42247 1.96078
16 1C1X NAD 0.002112 0.41878 1.96078
17 5TUF FAD 0.001469 0.41132 1.96078
18 1KOL NAD 0.002203 0.40977 1.96078
19 1ZMD NAI 0.006485 0.40457 1.96078
20 2F1K NAP 0.001 0.43176 2.15054
21 2HJR APR 0.00007776 0.48838 2.28758
22 1HYH NAD 0.0003309 0.4381 2.28758
23 4RQU NAD 0.0001737 0.43537 2.28758
24 1GAD NAD 0.0003978 0.41541 2.28758
25 2VYN NAD 0.0007387 0.41222 2.28758
26 1SC6 NAD 0.001703 0.40896 2.28758
27 3CMC NAD 0.009305 0.40786 2.28758
28 1YKJ FAD 0.008488 0.40759 2.28758
29 4DPL NAP 0.002677 0.40665 2.28758
30 1K3T BRZ 0.002983 0.40126 2.28758
31 2DT5 NAD 0.00008689 0.46674 2.36967
32 1J5P NAD 0.001132 0.4266 2.37154
33 1P77 ATR 0.006825 0.44751 2.57353
34 1OBB NAD 0.001383 0.43239 2.61438
35 3CIF NAD 0.0007626 0.41213 2.61438
36 2RAB NAD 0.01144 0.4042 2.61438
37 3CIF G3H 0.003242 0.40232 2.61438
38 5H81 NAP 0.0004015 0.4622 2.94118
39 9LDB NAD 0.0002405 0.44328 2.94118
40 9LDT NAD 0.0002405 0.43695 2.94118
41 1NVM NAD 0.0005114 0.43103 2.94118
42 1P0F NAP 0.0006976 0.42322 2.94118
43 1DXY NAD 0.0003368 0.41896 2.94118
44 4E5N NAD 0.0008801 0.41686 2.94118
45 3BAZ NAP 0.00301 0.41545 2.94118
46 3V1Y NAD 0.00259 0.41524 2.94118
47 1PGP 6PG 0.001912 0.41207 2.94118
48 2B4R NAD 0.001689 0.40603 2.94118
49 2B4R AES 0.001556 0.40399 2.94118
50 4J4H NAI 0.00006666 0.47902 3.0888
51 4J4H 1J1 0.00006666 0.47902 3.0888
52 1G6H ADP 0.04033 0.40331 3.11284
53 2WQ4 SFU 0.03403 0.41715 3.20513
54 3WV8 ATP 0.01153 0.40527 3.21101
55 1GV0 NAD 0.00001999 0.47223 3.26797
56 1GUZ NAD 0.00002398 0.46506 3.26797
57 2QRK AMP 0.0004524 0.43798 3.26797
58 4XB2 HSE 0.0004824 0.42911 3.26797
59 5CAE COA 0.003229 0.41713 3.26797
60 4XB2 NDP 0.0003024 0.41115 3.26797
61 1YKF NAP 0.002915 0.40524 3.26797
62 4MZU TDR 0.0247 0.4006 3.26797
63 4JK3 NAD 0.00001608 0.46268 3.4749
64 4LWU 20U 0.01122 0.41918 3.52941
65 1O0S NAI 0.00006377 0.49201 3.59477
66 2CDC XYP 0.0001461 0.48038 3.59477
67 2CDC XYS 0.0001694 0.47778 3.59477
68 2CDC NAP 0.0001694 0.47778 3.59477
69 1LDM NAD 0.00008389 0.4638 3.59477
70 2GZ3 NAP 0.0003296 0.45407 3.59477
71 2IZ1 ATR 0.006228 0.44919 3.59477
72 1X7D ORN 0.0002932 0.44384 3.59477
73 1EBF NAD 0.00004407 0.44212 3.59477
74 1X7D NAD 0.0001886 0.43463 3.59477
75 3IP5 ALA 0.01871 0.42553 3.59477
76 1J0X NAD 0.002132 0.41776 3.59477
77 1YQD NAP 0.001162 0.41157 3.59477
78 1YB5 NAP 0.002683 0.40419 3.59477
79 2HK9 NAP 0.0005017 0.41324 3.63636
80 3B1F NAD 0.001082 0.4437 3.7931
81 1A5Z NAD 0.001036 0.44452 3.92157
82 3ETG GLU 0.001627 0.43042 3.92157
83 1CDO NAD 0.0001899 0.42687 3.92157
84 3ETG GTP 0.001715 0.42237 3.92157
85 2I3G NAP 0.0009431 0.4211 3.92157
86 1M2W NAD 0.00308 0.42102 3.92157
87 5FI3 NAP 0.001269 0.41898 3.92157
88 2GSD NAD 0.002489 0.40661 3.92157
89 1MUU NAD 0.005127 0.40604 3.92157
90 3NHB ADP 0.04703 0.40393 3.92157
91 3CGD NAD 0.0164 0.40332 3.92157
92 3CGD FAD 0.0164 0.40332 3.92157
93 3CGD COA 0.0164 0.40332 3.92157
94 5OFW 9TW 0.01651 0.42845 4.03587
95 3WLE NAD 0.0002518 0.44504 4.24837
96 3H9E NAD 0.0008411 0.43477 4.24837
97 1B8U OAA 0.0006188 0.42514 4.24837
98 3A06 FOM 0.001484 0.41619 4.24837
99 3A06 NDP 0.001301 0.41587 4.24837
100 4OOE NDP 0.002566 0.4154 4.24837
101 1TB4 PEJ 0.00216 0.41019 4.24837
102 1KEV NDP 0.001036 0.4096 4.24837
103 4R5M NAP 0.002635 0.4095 4.24837
104 1SAY PYR 0.002225 0.40721 4.24837
105 2NAD NAD 0.002478 0.40668 4.24837
106 4R5M 4NO 0.002361 0.40619 4.24837
107 1GET NAP 0.01457 0.40108 4.24837
108 1B8U NAD 0.0004061 0.40045 4.24837
109 4R2I ANP 0.01606 0.42757 4.28571
110 4JBI NDP 0.005682 0.40421 4.32432
111 3VPH NAD 0.0003348 0.43055 4.57516
112 3VPH OXM 0.000405 0.41915 4.57516
113 4KP7 NAP 0.002631 0.41795 4.57516
114 4KP7 1UQ 0.002573 0.41462 4.57516
115 3OND ADN 0.00007991 0.40264 4.57516
116 3OND NAD 0.00007991 0.40264 4.57516
117 5N53 8NB 0.0225 0.42161 4.61538
118 5JE8 NAD 0.00379 0.41138 4.63576
119 5TCI MLI 0.03215 0.41112 4.71014
120 4X5S AZM 0.0379 0.40734 4.74138
121 5D4V SAH 0.003769 0.42042 4.85075
122 2FZW NAD 0.0002359 0.45452 4.90196
123 1CER NAD 0.001686 0.4227 4.90196
124 1H2B NAJ 0.0009766 0.41385 4.90196
125 3L4S 3PG 0.001371 0.41374 4.90196
126 3L4S NAD 0.00143 0.41175 4.90196
127 3B1J NAD 0.003004 0.40475 4.90196
128 3GGO NAI 0.005126 0.40119 4.90196
129 3GGO ENO 0.005126 0.40119 4.90196
130 1V8B NAD 0.00007716 0.46427 5.22876
131 1O6Z NAD 0.00003224 0.44418 5.28053
132 1GQ2 NAP 0.0001031 0.46387 5.55556
133 3ABI NAD 0.0004522 0.43601 5.55556
134 1PL6 572 0.0006289 0.42488 5.55556
135 2YVJ NAI 0.005086 0.42461 5.55556
136 1PL6 NAD 0.00009641 0.4181 5.55556
137 2GV8 NDP 0.00493 0.40951 5.55556
138 2ZJ1 NAD 0.00004135 0.40339 5.55556
139 2ZJ1 ARJ 0.00004495 0.40107 5.55556
140 2YVF FAD 0.01211 0.40004 5.55556
141 2YVF NAD 0.01257 0.40004 5.55556
142 1VI2 NAD 0.001201 0.44176 5.66667
143 2PV7 NAD 0.0024 0.41377 5.7047
144 1I0Z NAI 0.0001518 0.45401 5.88235
145 1HDG NAD 0.0008784 0.43722 5.88235
146 1LTH NAD 0.000057 0.43502 5.88235
147 2B5W NAP 0.0003882 0.4204 5.88235
148 1DSS NAD 0.0006418 0.40393 5.88235
149 1NPD NAD 0.0005535 0.44885 5.90278
150 1T26 NAI 0.00003371 0.48576 6.20915
151 1PZG A3D 0.0001511 0.42635 6.20915
152 2ZB4 5OP 0.004047 0.40204 6.20915
153 3TWO NDP 0.001411 0.40169 6.20915
154 2ZB4 NAP 0.004136 0.40061 6.20915
155 1ZQ9 SAM 0.01282 0.40626 6.31579
156 1JAY NAP 0.00712 0.40852 6.60377
157 3NOJ PYR 0.02404 0.40224 6.72269
158 1E3I CXF 0.0001547 0.42975 6.86275
159 2EV9 SKM 0.0008488 0.42009 6.86275
160 2EV9 NAP 0.0008488 0.42009 6.86275
161 1NYT NAP 0.0002651 0.45838 7.01107
162 3NJ4 NAD 0.0005272 0.48115 7.18954
163 3NJ4 AFX 0.0009168 0.47072 7.18954
164 1F8F NAD 0.0001674 0.42392 7.18954
165 4YCA NDP 0.00375 0.40881 7.48299
166 1O94 ADP 0.00135 0.43281 7.51634
167 4W6Z 8ID 0.0003846 0.43815 7.84314
168 3QV9 QV7 0.03394 0.41169 7.84314
169 1VM6 NAD 0.0001457 0.42734 7.89474
170 4MDH NAD 0.001223 0.42527 8.16993
171 5UAV TFB 0.0009737 0.42305 8.16993
172 5UAV NDP 0.0009737 0.42305 8.16993
173 5MDH NAD 0.0008057 0.41039 8.16993
174 5KVS NAP 0.0008945 0.44022 8.49673
175 3JV7 NAD 0.0003763 0.43903 8.49673
176 2GCG NDP 0.002665 0.40931 8.49673
177 3OA2 NAD 0.002815 0.40839 8.49673
178 1C3V NDP 0.0002628 0.44184 8.57143
179 1UXG NAD 0.00003987 0.47779 8.82353
180 1U3U BNF 0.0001575 0.46012 8.82353
181 2VHW NAI 0.0001162 0.45761 8.82353
182 1U3U NAD 0.0001575 0.40709 8.82353
183 4K28 NAD 0.00005818 0.48516 8.92193
184 4GKV NAD 0.0003039 0.43931 9.15033
185 4EDF UPG 0.006762 0.40195 9.15033
186 4PLG NAI 0.00004785 0.47344 9.80392
187 4MP8 NAD 0.0001254 0.45772 9.80392
188 4PLG OXM 0.01571 0.40512 9.80392
189 2CVQ NDP 0.000361 0.44285 10.4575
190 4KOA NDP 0.006612 0.42288 10.4575
191 5VKT NAP 0.0007819 0.42697 10.4972
192 3GFB NAD 0.0003739 0.4455 10.7843
193 5KKA 6V0 0.0006408 0.42458 10.7843
194 3T31 DCQ 0.004703 0.41445 11.4379
195 3T31 FAD 0.00525 0.41105 11.4379
196 2A92 NAI 0.00003419 0.47139 11.7647
197 1LVL NAD 0.003171 0.42693 11.7647
198 3N9R TD3 0.02361 0.41049 11.7647
199 1GR0 NAD 0.0006646 0.4267 12.0915
200 4BVA T3 0.0001025 0.46232 12.4183
201 4BVA NDP 0.00004949 0.46185 12.4183
202 1UP7 NAD 0.0005777 0.40316 12.4183
203 4L8V NAP 0.001607 0.40443 13.3987
204 4XZ3 COA 0.0007061 0.448 13.913
205 5M67 3D1 0.00002738 0.49627 14.0523
206 5M67 NAD 0.00003106 0.49413 14.0523
207 5M67 ADE 0.00004602 0.48746 14.0523
208 1D1T NAD 0.00007397 0.45906 14.3791
209 1M2Z BOG 0.04646 0.40396 14.3969
210 3QV1 NAD 0.001212 0.43153 15.8537
211 3GD4 NAD 0.01706 0.40103 16.6667
212 1NVT NAP 0.000175 0.42303 17.4216
213 1LDN NAD 0.000431 0.42794 22.8758
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