Receptor
PDB id Resolution Class Description Source Keywords
4IDC 1.4 Å NON-ENZYME: OTHER STRUCTURE OF THE FRAGARIA X ANANASSA ENONE OXIDOREDUCTASE IN WITH NADPH AND HDMF FRAGARIA VESCA MEDIUM CHAIN DEHYDROGENASE/REDUCTASE FAMILY ZINC-INDEPENDENROSSMANN FOLD ENONE OXIDOREDUCTASE FURANEOL HYDRIDE TRANNADPH NADH HDMF 4-HYDROXY-25-DIMETHYL-3(2H)-FURANONE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE ENZYMATIC FORMATION OF THE STRAWBERRY FLAVOR COMPOUND 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE J.BIOL.CHEM. V. 288 16815 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:401;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
1XX A:402;
Valid;
none;
submit data
128.126 C6 H8 O3 C[C@@...
EDO A:404;
A:405;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:403;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IDC 1.4 Å NON-ENZYME: OTHER STRUCTURE OF THE FRAGARIA X ANANASSA ENONE OXIDOREDUCTASE IN WITH NADPH AND HDMF FRAGARIA VESCA MEDIUM CHAIN DEHYDROGENASE/REDUCTASE FAMILY ZINC-INDEPENDENROSSMANN FOLD ENONE OXIDOREDUCTASE FURANEOL HYDRIDE TRANNADPH NADH HDMF 4-HYDROXY-25-DIMETHYL-3(2H)-FURANONE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE ENZYMATIC FORMATION OF THE STRAWBERRY FLAVOR COMPOUND 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE J.BIOL.CHEM. V. 288 16815 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4IDC - 1XX C6 H8 O3 C[C@@H]1C(....
2 4IDE - 3XX C7 H8 O3 C/C=C/1C(=....
3 4IDF - 4XX C5 H6 O3 CC1=C(C(=O....
4 4IDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4IDD - 2XX C7 H10 O3 CC[C@@H]1C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4IDC - 1XX C6 H8 O3 C[C@@H]1C(....
2 4IDE - 3XX C7 H8 O3 C/C=C/1C(=....
3 4IDF - 4XX C5 H6 O3 CC1=C(C(=O....
4 4IDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4IDD - 2XX C7 H10 O3 CC[C@@H]1C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4IDC - 1XX C6 H8 O3 C[C@@H]1C(....
2 4IDE - 3XX C7 H8 O3 C/C=C/1C(=....
3 4IDF - 4XX C5 H6 O3 CC1=C(C(=O....
4 4IDB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4IDD - 2XX C7 H10 O3 CC[C@@H]1C....
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
Ligand no: 2; Ligand: 1XX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1XX 1 1
2 2XX 0.518519 0.821429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IDC; Ligand: NDP; Similar sites found: 185
This union binding pocket(no: 1) in the query (biounit: 4idc.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DR9 BB2 0.02805 0.4008 None
2 3NJ4 NAD 0.003909 0.44112 1.50602
3 3NJ4 AFX 0.004108 0.4402 1.50602
4 2CVQ NDP 0.0005143 0.43831 1.52905
5 2Q0L NAP 0.002778 0.4457 1.60772
6 4XYB NDP 0.0003549 0.4285 1.80723
7 3IT1 TLA 0.04905 0.4029 1.80723
8 5L53 NAP 0.004526 0.41823 1.85185
9 5X20 NAD 0.008179 0.40428 1.92308
10 5L4L NAP 0.002304 0.42448 1.97368
11 1EBF NAD 0.00008704 0.48363 2.10843
12 4ZGS NAD 0.0003981 0.40533 2.10843
13 4TQG NDP 0.001936 0.41597 2.16718
14 2NAD NAD 0.0007802 0.41246 2.29008
15 1W73 NAP 0.006343 0.40617 2.31788
16 1W8D NAP 0.007186 0.40391 2.31788
17 1E5Q NDP 0.0003996 0.44256 2.40964
18 5A1S FLC 0.0343 0.41001 2.40964
19 3S5W NAP 0.01896 0.40581 2.40964
20 3WMX NAD 0.005923 0.40207 2.40964
21 2HJR APR 0.007812 0.40513 2.43902
22 2DC1 NAD 0.0002033 0.45735 2.71084
23 1BW9 NAD 0.00141 0.44009 2.71084
24 1C1X NAD 0.001273 0.4289 2.71084
25 1BXG NAD 0.001389 0.42738 2.71084
26 1C1X HFA 0.01237 0.42204 2.71084
27 2C29 NAP 0.001889 0.41638 2.71084
28 2V6G NAP 0.001575 0.41408 2.71084
29 1BW9 PPY 0.01581 0.41304 2.71084
30 1BXK NAD 0.002433 0.41211 2.71084
31 1X7D NAD 0.003041 0.40835 2.71084
32 3B20 NAD 0.006078 0.40694 2.71084
33 1YJQ NAP 0.002565 0.40132 2.9703
34 1V59 NAD 0.008118 0.43119 3.01205
35 3V1Y NAD 0.001177 0.43026 3.01205
36 5MDH NAD 0.001009 0.4299 3.01205
37 4MDH NAD 0.001355 0.42485 3.01205
38 1ZMD NAI 0.002107 0.42305 3.01205
39 2B4R NAD 0.002155 0.40896 3.01205
40 4E5N NAD 0.0003838 0.43711 3.0303
41 5F5N NAD 0.0057 0.40274 3.11419
42 2O4C NAD 0.0002073 0.44715 3.31325
43 3LU1 NAD 0.003572 0.40313 3.31325
44 2DT5 NAD 0.0001745 0.45652 3.31754
45 1NYT NAP 0.0002557 0.46046 3.32103
46 1MRH FMC 0.01788 0.42619 3.42205
47 2PK3 A2R 0.001102 0.45221 3.42679
48 1MUU NAD 0.0002447 0.46124 3.61446
49 1MV8 NAD 0.0004054 0.44885 3.61446
50 5KKA 6V0 0.0002509 0.441 3.61446
51 1J49 NAD 0.000466 0.43997 3.61446
52 1VI2 NAD 0.001498 0.43895 3.61446
53 1SC6 NAD 0.0003466 0.43582 3.61446
54 3CIF NAD 0.001315 0.42249 3.61446
55 1WPQ NAD 0.004283 0.41621 3.61446
56 1Q8A HCS 0.04053 0.40891 3.61446
57 4OOE NDP 0.004088 0.40854 3.61446
58 1NPD NAD 0.005571 0.40852 3.61446
59 1P7T PYR 0.04214 0.40639 3.61446
60 2GCG NDP 0.001744 0.41773 3.63636
61 1KYQ NAD 0.00115 0.45956 3.64964
62 3G6N MET ALA SER 0.04915 0.40231 3.66492
63 1LUA NAP 0.0008968 0.4523 3.83275
64 1GY8 NAD 0.003121 0.40292 3.91566
65 1VM6 NAD 0.001362 0.43079 3.94737
66 1P77 ATR 0.01229 0.43497 4.04412
67 3ICS ADP 0.0007838 0.4818 4.21687
68 3ICT ADP 0.0008363 0.4804 4.21687
69 1P31 EPU 0.008589 0.4154 4.21687
70 1PS9 NAP 0.004695 0.40613 4.21687
71 2FR1 NDP 0.002744 0.4026 4.21687
72 1OMO NAD 0.004715 0.41154 4.34783
73 4YCA NDP 0.005649 0.40289 4.42177
74 1GUZ NAD 0.001627 0.4189 4.51807
75 2PV7 NAD 0.002406 0.41501 4.69799
76 2CDU ADP 0.002552 0.4434 4.81928
77 3KB6 NAD 0.0002472 0.454 5.12048
78 1WDK NAD 0.001982 0.43039 5.12048
79 1U8X NAD 0.004369 0.40739 5.12048
80 2Y5S 78H 0.02632 0.40556 5.12048
81 4PIV NDP 0.003362 0.4017 5.12048
82 4JX1 CAH 0.01186 0.44176 5.30973
83 1DJN ADP 0.001325 0.43779 5.42169
84 1O94 ADP 0.001793 0.42901 5.42169
85 1YS4 NAP 0.004134 0.41992 5.42169
86 4R5M NAP 0.001929 0.41603 5.42169
87 4R5M 4NO 0.002655 0.40556 5.42169
88 5AOA PPI 0.008377 0.42961 5.59441
89 4XB2 HSE 0.0003709 0.42896 5.72289
90 4XB2 NDP 0.0002966 0.40546 5.72289
91 3ITJ CIT 0.03598 0.4063 5.91716
92 1NVT NAP 0.0002007 0.46855 5.92335
93 2VT3 ATP 0.001252 0.47167 6.04651
94 2HK9 ATR 0.001984 0.46663 6.18182
95 2HK9 NAP 0.0005626 0.44314 6.18182
96 4BVA NDP 0.0008701 0.42376 6.3253
97 4DPL NAP 0.00108 0.42297 6.3253
98 2I3G NAP 0.001295 0.41727 6.3253
99 1ZEM NAD 0.001482 0.42625 6.48855
100 1HFE CYS 0.04924 0.40354 6.50407
101 5THQ NDP 0.004015 0.40119 6.61765
102 1ORR NAD 0.001951 0.40565 6.62651
103 5GZ6 NDP 0.008413 0.40952 6.74847
104 5GT9 NAP 0.001835 0.41159 6.84411
105 1CER NAD 0.001543 0.42555 6.94864
106 4UP3 NDP 0.007418 0.40895 7.00637
107 3GD4 NAD 0.007909 0.4049 7.22892
108 2EV9 SKM 0.0004993 0.42996 7.60456
109 2EV9 NAP 0.0004993 0.42996 7.60456
110 5N2I NAP 0.000207 0.48028 7.75862
111 4YGM URA 0.03348 0.40766 7.75862
112 4D79 ATP 0.006264 0.42168 7.83133
113 4RDH AMP 0.02115 0.40352 7.83133
114 1WP4 NDP 0.002019 0.41801 8.13253
115 2GLX NDP 0.006726 0.40511 8.13253
116 3H8V ATP 0.009582 0.41322 8.21918
117 5KOD IAC 0.03791 0.4017 8.43373
118 2DBZ NAP 0.0003095 0.44686 8.73494
119 2VHW NAI 0.0001278 0.43618 8.75332
120 4D3F NAP 0.003474 0.42319 9.03226
121 4RQU NAD 0.0001385 0.46041 9.03614
122 2A92 NAI 0.00139 0.41353 9.03614
123 1HYH NAD 0.002079 0.40955 9.03614
124 4K28 NAD 0.000245 0.46122 9.33735
125 5UAV NDP 0.001069 0.405 9.33735
126 5UAV TFB 0.001069 0.405 9.33735
127 1YXM ADE 0.04473 0.40432 9.33735
128 1O6Z NAD 0.00023 0.46609 9.57096
129 2F1K NAP 0.006362 0.40082 9.67742
130 1CDO NAD 0.0001231 0.46961 9.93976
131 1E3I CXF 0.00009228 0.44073 10.241
132 2D2I NAP 0.009095 0.40232 10.241
133 1EZ4 NAD 0.000449 0.44706 10.3774
134 5JE8 NAD 0.002498 0.42003 10.596
135 1V8B NAD 0.0005829 0.4133 10.8434
136 4NBU NAI 0.003699 0.40014 11.6
137 1AE1 NAP 0.002443 0.40209 11.7216
138 3ABI NAD 0.000161 0.45452 11.747
139 1GQ2 NAP 0.002093 0.41465 11.747
140 2VYN NAD 0.001978 0.4156 11.7825
141 5CAE COA 0.001633 0.4307 12.6506
142 1LSS NAD 0.004837 0.42012 12.8571
143 2FZW NAD 0.00006409 0.4199 12.9518
144 1F06 NDP 0.001371 0.41634 12.9518
145 2GZ3 NAP 0.001283 0.40834 12.9518
146 2ZB3 NDP 0.000001921 0.53248 13.5542
147 1VHZ APR 0.01912 0.4269 14.6465
148 2ZB4 NAP 0.000003016 0.48682 15.9639
149 2ZB4 5OP 0.000002771 0.48464 15.9639
150 1O5I NAD 0.01234 0.4051 16.0643
151 5L95 AMP 0.01208 0.40552 16.25
152 2YVJ NAI 0.0004908 0.47227 17.4312
153 4JK3 NAD 0.0001803 0.46297 17.4699
154 3QV1 NAD 0.0025 0.42001 18.2927
155 2DM6 IMN 0.0000005112 0.50115 20.7831
156 2DM6 NAP 0.0000009101 0.49791 20.7831
157 3TWO NDP 0.000006794 0.48445 22.8916
158 1JAY NAP 0.0003488 0.46625 25.4717
159 1YKF NAP 0.000008153 0.50395 25.9036
160 1PL6 NAD 0.00003183 0.516 27.1084
161 1PL6 572 0.00009055 0.45736 27.1084
162 3JV7 NAD 0.0000007436 0.54363 27.4096
163 4B7X NAP 0.000002521 0.51072 27.7108
164 3B6Z CO7 0.000002954 0.51228 28.012
165 5FI3 NAP 0.00002233 0.48726 28.6145
166 5H81 NAP 0.00004602 0.50417 28.9157
167 1KEV NDP 0.00001798 0.47445 29.8193
168 1YQD NAP 0.00002194 0.47655 30.4217
169 2DFV NAD 0.00005659 0.47926 32.2289
170 1P0F NAP 0.00001845 0.48289 32.8313
171 1LLU NAD 0.000003011 0.50223 37.6506
172 4WAS COO 0.00004646 0.45002 38.253
173 4WAS NAP 0.00004895 0.44964 38.253
174 1U3U BNF 0.00005219 0.42657 39.1566
175 1U3U NAD 0.00005219 0.42657 39.1566
176 1D1T NAD 0.00004348 0.46913 39.759
177 4JBI NDP 0.00001339 0.51275 40.0602
178 4GKV NAD 0.000002549 0.50476 40.0602
179 3QWB NDP 0.00000654 0.5035 40.6627
180 1N9G NAP 0.0001066 0.47597 40.6627
181 3GFB NAD 0.0001717 0.46025 40.9639
182 4RVU NDP 0.0000008552 0.52177 41.8675
183 3WLE NAD 0.00000379 0.48727 43.0723
184 4A0S NAP 0.00000002736 0.59279 47.5904
185 1YB5 NAP 0.00000006051 0.56224 48.494
Pocket No.: 2; Query (leader) PDB : 4IDC; Ligand: 1XX; Similar sites found: 242
This union binding pocket(no: 2) in the query (biounit: 4idc.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DR9 BB2 0.02805 0.4008 None
2 3NJ4 NAD 0.003909 0.44112 1.50602
3 3NJ4 AFX 0.004108 0.4402 1.50602
4 2YVF NAD 0.005537 0.41225 1.50602
5 2YVF FAD 0.006018 0.41013 1.50602
6 2CVQ NDP 0.0005143 0.43831 1.52905
7 2Q0L NAP 0.002778 0.4457 1.60772
8 4XYB NDP 0.0003549 0.4285 1.80723
9 3IT1 TLA 0.04905 0.4029 1.80723
10 5L53 NAP 0.004526 0.41823 1.85185
11 1A5Z NAD 0.009896 0.40353 1.88088
12 5X20 NAD 0.008179 0.40428 1.92308
13 5L4L NAP 0.002304 0.42448 1.97368
14 1EBF NAD 0.00008704 0.48363 2.10843
15 4ZGS NAD 0.0003981 0.40533 2.10843
16 4TQG NDP 0.001936 0.41597 2.16718
17 2NAD NAD 0.0007802 0.41246 2.29008
18 1W73 NAP 0.006343 0.40617 2.31788
19 1W8D NAP 0.007186 0.40391 2.31788
20 1E5Q NDP 0.0003996 0.44256 2.40964
21 2BH9 NAP 0.004768 0.43451 2.40964
22 5A1S FLC 0.0343 0.41001 2.40964
23 9LDB NAD 0.002364 0.40745 2.40964
24 3S5W NAP 0.01896 0.40581 2.40964
25 3WMX NAD 0.005923 0.40207 2.40964
26 9LDT NAD 0.003328 0.40187 2.40964
27 2HJR APR 0.007812 0.40513 2.43902
28 2DC1 NAD 0.0002033 0.45735 2.71084
29 1BW9 NAD 0.00141 0.44009 2.71084
30 1DSS NAD 0.0009957 0.43635 2.71084
31 1C1X NAD 0.001273 0.4289 2.71084
32 1BXG NAD 0.001389 0.42738 2.71084
33 1C1X HFA 0.01237 0.42204 2.71084
34 2C29 NAP 0.001889 0.41638 2.71084
35 2V6G NAP 0.001575 0.41408 2.71084
36 1BW9 PPY 0.01581 0.41304 2.71084
37 1BXK NAD 0.002433 0.41211 2.71084
38 1BZL FAD 0.01391 0.41101 2.71084
39 1X7D NAD 0.003041 0.40835 2.71084
40 3B20 NAD 0.006078 0.40694 2.71084
41 1YJQ NAP 0.002565 0.40132 2.9703
42 3BAZ NAP 0.0002589 0.46024 3.01205
43 2B5W NAP 0.0000483 0.45436 3.01205
44 1V59 NAD 0.008118 0.43119 3.01205
45 3V1Y NAD 0.001177 0.43026 3.01205
46 5MDH NAD 0.001009 0.4299 3.01205
47 4MDH NAD 0.001355 0.42485 3.01205
48 1ZMD NAI 0.002107 0.42305 3.01205
49 2B4R NAD 0.002155 0.40896 3.01205
50 4KCT PYR 0.04512 0.40056 3.01205
51 4E5N NAD 0.0003838 0.43711 3.0303
52 1SOW NAD 0.001451 0.41283 3.04878
53 5F5N NAD 0.0057 0.40274 3.11419
54 2O4C NAD 0.0002073 0.44715 3.31325
55 3LU1 NAD 0.003572 0.40313 3.31325
56 2DT5 NAD 0.0001745 0.45652 3.31754
57 1NYT NAP 0.0002557 0.46046 3.32103
58 1MRH FMC 0.01788 0.42619 3.42205
59 2PK3 A2R 0.001102 0.45221 3.42679
60 3VOZ 04A 0.02673 0.41748 3.49206
61 1J5P NAD 0.0005564 0.4401 3.55731
62 2BGM NAJ 0.0008614 0.43571 3.59712
63 1MUU NAD 0.0002447 0.46124 3.61446
64 1MV8 NAD 0.0004054 0.44885 3.61446
65 5KKA 6V0 0.0002509 0.441 3.61446
66 1J49 NAD 0.000466 0.43997 3.61446
67 1VI2 NAD 0.001498 0.43895 3.61446
68 1SC6 NAD 0.0003466 0.43582 3.61446
69 3CIF NAD 0.001315 0.42249 3.61446
70 1WPQ NAD 0.004283 0.41621 3.61446
71 3H9E NAD 0.003722 0.41018 3.61446
72 1Q8A HCS 0.04053 0.40891 3.61446
73 4OOE NDP 0.004088 0.40854 3.61446
74 1NPD NAD 0.005571 0.40852 3.61446
75 1P7T PYR 0.04214 0.40639 3.61446
76 2GCG NDP 0.001744 0.41773 3.63636
77 1KYQ NAD 0.00115 0.45956 3.64964
78 3G6N MET ALA SER 0.04915 0.40231 3.66492
79 1LTH NAD 0.001787 0.42907 3.76176
80 1LUA NAP 0.0008968 0.4523 3.83275
81 2JL1 NAP 0.01106 0.40143 3.83275
82 1HKU NAD 0.0007677 0.4258 3.91566
83 1VKO NAD 0.001332 0.41421 3.91566
84 1R6D NAD 0.004757 0.40978 3.91566
85 1R6D DAU 0.004819 0.40878 3.91566
86 1GY8 NAD 0.003121 0.40292 3.91566
87 1VM6 NAD 0.001362 0.43079 3.94737
88 1B8U NAD 0.0006971 0.45711 3.95137
89 1P77 ATR 0.01229 0.43497 4.04412
90 3B1F NAD 0.0006175 0.45555 4.13793
91 4KOA NDP 0.01523 0.40709 4.2042
92 3ICS ADP 0.0007838 0.4818 4.21687
93 3ICT ADP 0.0008363 0.4804 4.21687
94 2GSD NAD 0.0005647 0.41736 4.21687
95 1P31 EPU 0.008589 0.4154 4.21687
96 1PS9 NAP 0.004695 0.40613 4.21687
97 1TB4 PEJ 0.003496 0.40349 4.21687
98 2FR1 NDP 0.002744 0.4026 4.21687
99 1Z45 NAD 0.004156 0.40062 4.21687
100 1OMO NAD 0.004715 0.41154 4.34783
101 4YCA NDP 0.005649 0.40289 4.42177
102 1GUZ NAD 0.001627 0.4189 4.51807
103 1GV0 NAD 0.002194 0.41122 4.51807
104 2PV7 NAD 0.002406 0.41501 4.69799
105 2CDU ADP 0.002552 0.4434 4.81928
106 3KB6 NAD 0.0002472 0.454 5.12048
107 1WDK NAD 0.001982 0.43039 5.12048
108 1U8X NAD 0.004369 0.40739 5.12048
109 2Y5S 78H 0.02632 0.40556 5.12048
110 4PIV NDP 0.003362 0.4017 5.12048
111 4JX1 CAH 0.01186 0.44176 5.30973
112 1DJN ADP 0.001325 0.43779 5.42169
113 1O94 ADP 0.001793 0.42901 5.42169
114 1YS4 NAP 0.004134 0.41992 5.42169
115 4R5M NAP 0.001929 0.41603 5.42169
116 4MP8 NAD 0.0005684 0.41071 5.42169
117 4R5M 4NO 0.002655 0.40556 5.42169
118 5AOA PPI 0.008377 0.42961 5.59441
119 4XB2 HSE 0.0003709 0.42896 5.72289
120 4XB2 NDP 0.0002966 0.40546 5.72289
121 3ITJ CIT 0.03598 0.4063 5.91716
122 1NVT NAP 0.0002007 0.46855 5.92335
123 2VT3 ATP 0.001252 0.47167 6.04651
124 2HK9 ATR 0.001984 0.46663 6.18182
125 2HK9 NAP 0.0005626 0.44314 6.18182
126 4BVA NDP 0.0008701 0.42376 6.3253
127 4DPL NAP 0.00108 0.42297 6.3253
128 2I3G NAP 0.001295 0.41727 6.3253
129 1HYE NAP 0.009482 0.40155 6.3253
130 1ZEM NAD 0.001482 0.42625 6.48855
131 3WBF NAP 0.0001178 0.46314 6.55738
132 3WBF API 0.0003338 0.43355 6.55738
133 5THQ NDP 0.004015 0.40119 6.61765
134 1C3V NDP 0.0002904 0.44166 6.62651
135 1O0S NAI 0.001117 0.44094 6.62651
136 2JE7 XMM 0.03111 0.41316 6.62651
137 1ORR NAD 0.001951 0.40565 6.62651
138 5GZ6 NDP 0.008413 0.40952 6.74847
139 5GT9 NAP 0.001835 0.41159 6.84411
140 3O03 NAP 0.005656 0.40287 6.87285
141 1SAY PYR 0.0003374 0.4294 6.92771
142 1GR0 NAD 0.00109 0.41106 6.92771
143 1CER NAD 0.001543 0.42555 6.94864
144 4UP3 NDP 0.007418 0.40895 7.00637
145 2AG8 NAP 0.004151 0.42304 7.22433
146 3GD4 NAD 0.007909 0.4049 7.22892
147 2AE2 NAP 0.003414 0.40464 7.22892
148 2EV9 SKM 0.0004993 0.42996 7.60456
149 2EV9 NAP 0.0004993 0.42996 7.60456
150 5N2I NAP 0.000207 0.48028 7.75862
151 4YGM URA 0.03348 0.40766 7.75862
152 4D79 ATP 0.006264 0.42168 7.83133
153 2NU8 COA 0.00401 0.40888 7.83133
154 4RDH AMP 0.02115 0.40352 7.83133
155 2Q1W NAD 0.002832 0.40209 7.83133
156 1WP4 NDP 0.002019 0.41801 8.13253
157 2GLX NDP 0.006726 0.40511 8.13253
158 2NVK NAP 0.04974 0.40202 8.13253
159 3H8V ATP 0.009582 0.41322 8.21918
160 5KOD IAC 0.03791 0.4017 8.43373
161 4JEJ 1GP 0.02247 0.40902 8.60656
162 2DBZ NAP 0.0003095 0.44686 8.73494
163 2VHW NAI 0.0001278 0.43618 8.75332
164 4D3F NAP 0.003474 0.42319 9.03226
165 4RQU NAD 0.0001385 0.46041 9.03614
166 1DXY NAD 0.0005882 0.44236 9.03614
167 2A92 NAI 0.00139 0.41353 9.03614
168 1HYH NAD 0.002086 0.40949 9.03614
169 4K28 NAD 0.000245 0.46122 9.33735
170 1DRV A3D 0.001069 0.44527 9.33735
171 5UAV NDP 0.001069 0.405 9.33735
172 5UAV TFB 0.001069 0.405 9.33735
173 1YXM ADE 0.04473 0.40432 9.33735
174 1O6Z NAD 0.00023 0.46609 9.57096
175 4E13 NAD 0.001869 0.43829 9.63855
176 2F1K NAP 0.006362 0.40082 9.67742
177 1CDO NAD 0.0001231 0.46961 9.93976
178 1E3I CXF 0.00009228 0.44073 10.241
179 2D2I NAP 0.009095 0.40232 10.241
180 1EZ4 NAD 0.000449 0.44706 10.3774
181 5JE8 NAD 0.002498 0.42003 10.596
182 1V8B NAD 0.0005829 0.4133 10.8434
183 4NBU NAI 0.003699 0.40014 11.6
184 1AE1 NAP 0.002443 0.40209 11.7216
185 3ABI NAD 0.000161 0.45452 11.747
186 1GQ2 NAP 0.002093 0.41465 11.747
187 2VYN NAD 0.001978 0.4156 11.7825
188 1GAD NAD 0.002383 0.41796 11.8182
189 5CAE COA 0.001633 0.4307 12.6506
190 1LSS NAD 0.004837 0.42012 12.8571
191 2FZW NAD 0.00006409 0.4199 12.9518
192 1F06 NDP 0.001371 0.41634 12.9518
193 2GZ3 NAP 0.001283 0.40834 12.9518
194 2ZB3 NDP 0.000001921 0.53248 13.5542
195 1VHZ APR 0.01912 0.4269 14.6465
196 2ZB4 NAP 0.000003016 0.48682 15.9639
197 2ZB4 5OP 0.000002771 0.48464 15.9639
198 3B1J NAD 0.004183 0.40051 16
199 1O5I NAD 0.01234 0.4051 16.0643
200 5L95 AMP 0.01208 0.40552 16.25
201 2YVJ NAI 0.0004908 0.47227 17.4312
202 4JK3 NAD 0.0001803 0.46297 17.4699
203 3QV1 NAD 0.0025 0.42001 18.2927
204 1LVL NAD 0.008796 0.40867 18.3735
205 2DM6 IMN 0.0000005112 0.50115 20.7831
206 2DM6 NAP 0.0000009101 0.49791 20.7831
207 3TWO NDP 0.000006794 0.48445 22.8916
208 1F8F NAD 0.00004646 0.4907 24.6988
209 1JAY NAP 0.0003488 0.46625 25.4717
210 1YKF NAP 0.000008153 0.50395 25.9036
211 1H2B NAJ 0.00000274 0.50941 26.506
212 1PL6 NAD 0.00003183 0.516 27.1084
213 1PL6 572 0.00009055 0.45736 27.1084
214 3JV7 NAD 0.0000007436 0.54363 27.4096
215 4B7X NAP 0.000002521 0.51072 27.7108
216 3B6Z CO7 0.000002954 0.51228 28.012
217 5FI3 NAP 0.00002233 0.48726 28.6145
218 5H81 NAP 0.00004602 0.50417 28.9157
219 1KEV NDP 0.00001798 0.47445 29.8193
220 1YQD NAP 0.00002194 0.47655 30.4217
221 2DFV NAD 0.00005659 0.47926 32.2289
222 1P0F NAP 0.00001845 0.48289 32.8313
223 4W6Z 8ID 0.00000008513 0.54414 33.1325
224 1KOL NAD 0.0000706 0.44465 36.1446
225 1LLU NAD 0.000003011 0.50223 37.6506
226 4WAS COO 0.00004646 0.45002 38.253
227 4WAS NAP 0.00004895 0.44964 38.253
228 1U3U NAD 0.00005219 0.42657 39.1566
229 1U3U BNF 0.00005219 0.42657 39.1566
230 1D1T NAD 0.00004348 0.46913 39.759
231 4JBI NDP 0.00001339 0.51275 40.0602
232 4GKV NAD 0.000002549 0.50476 40.0602
233 3QWB NDP 0.00000654 0.5035 40.6627
234 1N9G NAP 0.0001066 0.47597 40.6627
235 3GFB NAD 0.0001717 0.46025 40.9639
236 4RVU NDP 0.0000008552 0.52177 41.8675
237 3WLE NAD 0.00000379 0.48727 43.0723
238 3JYN NDP 0.0000004713 0.5372 43.6923
239 2J8Z NAP 0.000005572 0.51454 44.8795
240 1R37 NAD 0.000001874 0.50943 45.4819
241 4A0S NAP 0.00000002736 0.59279 47.5904
242 1YB5 NAP 0.00000006051 0.56224 48.494
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