Receptor
PDB id Resolution Class Description Source Keywords
4FGH 2.5 Å EC: 1.5.1.3 S. AUREUS DIHYDROFOLATE REDUCTASE CO-CRYSTALLIZED WITH ETHYL ISOBUTENYL-DIHYDROPHTHALAZINE INHIBITOR STAPHYLOCOCCUS AUREUS OXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: INHIBITION OF BACTERIAL DIHYDROFOLATE REDUCTASE BY 6-ALKYL-2,4-DIAMINOPYRIMIDINES. CHEMMEDCHEM V. 7 1974 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:201;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
0U6 A:202;
Valid;
none;
Ki = 2.9 nM
526.629 C30 H34 N6 O3 CCc1c...
GOL A:203;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LAE 1.69 Å EC: 1.5.1.3 STRUCTURE-BASED DESIGN OF NEW DIHYDROFOLATE REDUCTASE ANTIBA AGENTS: 7-(BENZIMIDAZOL-1-YL)-2,4-DIAMINOQUINAZOLINES STAPHYLOCOCCUS AUREUS DHFR PROTEIN-INHIBITOR COMPLEX FOLATE NADPH OXIDOREDUCTAOXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF NEW DIHYDROFOLATE REDUCTA ANTIBACTERIAL AGENTS: 7-(BENZIMIDAZOL-1-YL)-2,4-DIAMINOQUINAZOLINES. J.MED.CHEM. V. 57 651 2014
Members (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3FQC ic50 = 0.064 uM 55V C19 H24 N4 O3 Cc1c(c(nc(....
2 3SQY Ki = 2.7 nM Q11 C15 H14 N4 O COc1ccccc1....
3 3FQZ ic50 = 0.17 uM 11F C22 H22 N4 O Cc1c(c(nc(....
4 3FRF Ki = 0.003 uM XCF C19 H22 N4 O3 COc1cc(c2c....
5 3FQO ic50 = 0.67 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
6 3SRU Ki = 0.02 nM Q26 C23 H23 N5 O3 S CCOc1ccc(c....
7 3FY9 Ki = 3.5 nM XCF C19 H22 N4 O3 COc1cc(c2c....
8 4LEK Ki = 0.16 nM 1DN C20 H17 N7 O2 S COc1cc2c(c....
9 4TU5 ic50 = 18 nM 06W C22 H23 N5 O CCc1c(c(nc....
10 2W9G Kd = 8.1 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 3SRQ Ki = 0.48 nM Q19 C17 H16 N4 O Cc1cc2c(cc....
12 4LAG Ki = 0.011 nM 1VN C20 H16 Cl N7 S Cc1cc2c(cc....
13 3M08 Ki = 2.8 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
14 3FYW Ki = 0.23 nM I2H C19 H22 N4 O3 COc1cc(c2c....
15 3FRD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3F0Q Ki = 10 nM 52V C24 H26 N4 O Cc1cccc(c1....
17 2W9H Kd = 430 nM TOP C14 H18 N4 O3 COc1cc(cc(....
18 4LAE Ki = 0.002 nM 1VM C20 H17 N7 S Cc1cc2c(cc....
19 3FYV Ki = 0.22 nM XCF C19 H22 N4 O3 COc1cc(c2c....
20 3F0U ic50 = 0.19 uM 53R C22 H22 N4 O Cc1c(c(nc(....
21 3FQ0 ic50 = 0.068 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
22 3FQF ic50 = 0.75 uM 55V C19 H24 N4 O3 Cc1c(c(nc(....
23 3SRS Ki = 0.76 nM M23 C17 H17 Br N4 O CCOc1ccc(c....
24 3F0B ic50 = 0.061 uM 53R C22 H22 N4 O Cc1c(c(nc(....
25 3FRA Ka = 76000000 M^-1 I2H C19 H22 N4 O3 COc1cc(c2c....
26 5ISQ Ki = 158.3 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
27 4FGH Ki = 2.9 nM 0U6 C30 H34 N6 O3 CCc1c(c(nc....
28 3FRB Ka = 5800000 M^-1 TOP C14 H18 N4 O3 COc1cc(cc(....
29 3SRR Ki = 0.24 nM Q20 C18 H18 N4 O2 CCOc1ccc(c....
30 5JG0 ic50 = 0.01 uM UC9 C24 H22 N4 O4 CCc1c(c(nc....
31 3FQV ic50 = 0.77 uM 11F C22 H22 N4 O Cc1c(c(nc(....
32 5ISP Ki = 11.75 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
33 4LAH Ki = 0.096 nM 1VO C20 H17 N7 S Cc1cc2c(cc....
34 3SRW Ki = 0.026 nM Q27 C21 H20 N4 O CCOc1ccc2c....
35 3I8A Ki = 0.12 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
36 3M09 Ki = 0.9 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
37 4FGG Ki = 4.1 nM 0U5 C31 H36 N6 O3 CCCc1c(c(n....
38 3FRE Ki = 0.0006 uM TOP C14 H18 N4 O3 COc1cc(cc(....
39 5IST Ki = 3.89 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
40 3FY8 Ki = 0.9 nM I2H C19 H22 N4 O3 COc1cc(c2c....
41 3SR5 Ki = 0.35 nM Q12 C17 H18 N4 O2 Cc1cc2c(cc....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3FQC ic50 = 0.064 uM 55V C19 H24 N4 O3 Cc1c(c(nc(....
2 3SQY Ki = 2.7 nM Q11 C15 H14 N4 O COc1ccccc1....
3 3FQZ ic50 = 0.17 uM 11F C22 H22 N4 O Cc1c(c(nc(....
4 3FRF Ki = 0.003 uM XCF C19 H22 N4 O3 COc1cc(c2c....
5 3FQO ic50 = 0.67 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
6 3SRU Ki = 0.02 nM Q26 C23 H23 N5 O3 S CCOc1ccc(c....
7 3FY9 Ki = 3.5 nM XCF C19 H22 N4 O3 COc1cc(c2c....
8 4LEK Ki = 0.16 nM 1DN C20 H17 N7 O2 S COc1cc2c(c....
9 4TU5 ic50 = 18 nM 06W C22 H23 N5 O CCc1c(c(nc....
10 2W9G Kd = 8.1 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 3SRQ Ki = 0.48 nM Q19 C17 H16 N4 O Cc1cc2c(cc....
12 4LAG Ki = 0.011 nM 1VN C20 H16 Cl N7 S Cc1cc2c(cc....
13 3M08 Ki = 2.8 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
14 3FYW Ki = 0.23 nM I2H C19 H22 N4 O3 COc1cc(c2c....
15 3FRD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3F0Q Ki = 10 nM 52V C24 H26 N4 O Cc1cccc(c1....
17 2W9H Kd = 430 nM TOP C14 H18 N4 O3 COc1cc(cc(....
18 4LAE Ki = 0.002 nM 1VM C20 H17 N7 S Cc1cc2c(cc....
19 3FYV Ki = 0.22 nM XCF C19 H22 N4 O3 COc1cc(c2c....
20 3F0U ic50 = 0.19 uM 53R C22 H22 N4 O Cc1c(c(nc(....
21 3FQ0 ic50 = 0.068 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
22 3FQF ic50 = 0.75 uM 55V C19 H24 N4 O3 Cc1c(c(nc(....
23 3SRS Ki = 0.76 nM M23 C17 H17 Br N4 O CCOc1ccc(c....
24 3F0B ic50 = 0.061 uM 53R C22 H22 N4 O Cc1c(c(nc(....
25 3FRA Ka = 76000000 M^-1 I2H C19 H22 N4 O3 COc1cc(c2c....
26 5ISQ Ki = 158.3 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
27 4FGH Ki = 2.9 nM 0U6 C30 H34 N6 O3 CCc1c(c(nc....
28 3FRB Ka = 5800000 M^-1 TOP C14 H18 N4 O3 COc1cc(cc(....
29 3SRR Ki = 0.24 nM Q20 C18 H18 N4 O2 CCOc1ccc(c....
30 5JG0 ic50 = 0.01 uM UC9 C24 H22 N4 O4 CCc1c(c(nc....
31 3FQV ic50 = 0.77 uM 11F C22 H22 N4 O Cc1c(c(nc(....
32 5ISP Ki = 11.75 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
33 4LAH Ki = 0.096 nM 1VO C20 H17 N7 S Cc1cc2c(cc....
34 3SRW Ki = 0.026 nM Q27 C21 H20 N4 O CCOc1ccc2c....
35 3I8A Ki = 0.12 uM N22 C17 H20 N4 O2 CCc1c(c(nc....
36 3M09 Ki = 0.9 nM RAR C27 H30 N6 O3 CCC[C@H]1c....
37 4FGG Ki = 4.1 nM 0U5 C31 H36 N6 O3 CCCc1c(c(n....
38 3FRE Ki = 0.0006 uM TOP C14 H18 N4 O3 COc1cc(cc(....
39 5IST Ki = 3.89 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
40 3FY8 Ki = 0.9 nM I2H C19 H22 N4 O3 COc1cc(c2c....
41 3SR5 Ki = 0.35 nM Q12 C17 H18 N4 O2 Cc1cc2c(cc....
42 2W9S Kd = 2370 nM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3FQC ic50 = 0.064 uM 55V C19 H24 N4 O3 Cc1c(c(nc(....
2 3SQY Ki = 2.7 nM Q11 C15 H14 N4 O COc1ccccc1....
3 3FQZ ic50 = 0.17 uM 11F C22 H22 N4 O Cc1c(c(nc(....
4 3FRF Ki = 0.003 uM XCF C19 H22 N4 O3 COc1cc(c2c....
5 4FGH Ki = 2.9 nM 0U6 C30 H34 N6 O3 CCc1c(c(nc....
6 4QLG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4RGC - FOL C19 H19 N7 O6 c1cc(ccc1C....
8 1RB2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 5W3Q - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 5CC9 - DDF C21 H25 N5 O6 c1cc(ccc1C....
11 1DRB - MTX C20 H22 N8 O5 CN(Cc1cnc2....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: 0U6; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 0U6 1 1
2 0U5 0.859813 0.944444
3 53I 0.701754 0.927536
4 53J 0.701754 0.927536
5 RAR 0.515625 0.887324
6 31I 0.5 0.898551
7 35I 0.488722 0.837838
8 52J 0.48855 0.9
9 52I 0.48855 0.9
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LAE; Ligand: NAP; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 4lae.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B6C SDN 0.002831 0.48555 None
2 4B4Q A2G GAL NAG FUC GAL GLC 0.04071 0.42054 None
3 4XPL ACO 0.02762 0.40904 None
4 4PPF FLC 0.03266 0.43406 2.39521
5 3CV2 COA 0.01836 0.44972 2.99401
6 1LK7 DER 0.02569 0.42029 2.99401
7 2ZJ5 ADP 0.04866 0.41783 2.99401
8 4OAS 2SW 0.01446 0.4297 3.125
9 4LWU 20U 0.02424 0.41818 3.52941
10 1T9D P22 0.04155 0.42003 3.54505
11 2QZ4 ADP 0.006497 0.44748 3.59281
12 2WDA L42 0.04033 0.42524 3.59281
13 2X1L ADN 0.02675 0.41597 3.59281
14 4AZT LY2 0.0394 0.41387 3.59281
15 3GQT UFO 0.03747 0.41163 3.59281
16 5MOB A8S 0.04904 0.4087 3.59281
17 1D2N ANP 0.02463 0.40579 3.59281
18 1XKV ATP 0.04899 0.40235 3.59281
19 1JJV ATP 0.03994 0.4229 4.19162
20 3LRE ADP 0.04228 0.41961 4.19162
21 3BWR GAL NGA SIA GAL BGC 0.04929 0.4158 4.79042
22 5O4F 8VE 0.04597 0.40379 4.79042
23 3SXN COA 0.02643 0.40168 5.38922
24 4NYT PC 0.007511 0.45224 5.98802
25 4XDY HIO 0.01353 0.44401 5.98802
26 1QPR PPC 0.01311 0.41587 5.98802
27 3FHR P4O 0.01805 0.41511 6.58683
28 5MPQ BLG 0.03675 0.41208 6.58683
29 5TME UDP 0.005806 0.45848 7.18563
30 1QHH ATP 0.03427 0.41368 7.18563
31 1U5R ATP 0.03457 0.4042 7.47126
32 1TV5 N8E 0.009749 0.46817 7.78443
33 3TW1 AHN 0.01504 0.44573 7.78443
34 1K7L 544 0.01582 0.40426 7.78443
35 5E5U MLI 0.0102 0.46104 8.38323
36 5F7J ADE 0.03901 0.422 8.38323
37 5MZN ADP 0.03976 0.42112 8.38323
38 5LX9 OLB 0.02516 0.41735 8.38323
39 4HA9 NDP 0.0000001309 0.42668 8.98204
40 1NW4 IMH 0.04071 0.40654 8.98204
41 3WVR AMP 0.04798 0.40282 8.98204
42 1TMX HGX 0.02434 0.40335 10.1796
43 2CBZ ATP 0.04618 0.41422 10.9705
44 1YQT ADP 0.03724 0.42502 11.3772
45 1H3F TYE 0.04048 0.4212 11.3772
46 5BXV MGP 0.02684 0.43367 11.976
47 2QV7 ADP 0.01921 0.42002 11.976
48 3HBF UDP 0.0141 0.41728 11.976
49 1ZDU P3A 0.01169 0.40755 11.976
50 3KYG 5GP 5GP 0.03483 0.40125 13.1737
51 1XPJ TLA 0.01502 0.45137 18.254
52 2FKA BEF 0.02644 0.41327 40
53 4EIL NDP 0.000000000002957 0.55958 47.9042
54 4EIL FOL 0.00000001301 0.40959 47.9042
Pocket No.: 2; Query (leader) PDB : 4LAE; Ligand: 1VM; Similar sites found: 54
This union binding pocket(no: 2) in the query (biounit: 4lae.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B6C SDN 0.002831 0.48555 None
2 4B4Q A2G GAL NAG FUC GAL GLC 0.04071 0.42054 None
3 4XPL ACO 0.02762 0.40904 None
4 4PPF FLC 0.03266 0.43406 2.39521
5 3CV2 COA 0.01836 0.44972 2.99401
6 1LK7 DER 0.02569 0.42029 2.99401
7 2ZJ5 ADP 0.04866 0.41783 2.99401
8 4OAS 2SW 0.01446 0.4297 3.125
9 4LWU 20U 0.02424 0.41818 3.52941
10 1T9D P22 0.04155 0.42003 3.54505
11 2QZ4 ADP 0.006497 0.44748 3.59281
12 2WDA L42 0.04033 0.42524 3.59281
13 2X1L ADN 0.02675 0.41597 3.59281
14 4AZT LY2 0.0394 0.41387 3.59281
15 3GQT UFO 0.03747 0.41163 3.59281
16 5MOB A8S 0.04904 0.4087 3.59281
17 1D2N ANP 0.02463 0.40579 3.59281
18 1XKV ATP 0.04899 0.40235 3.59281
19 1JJV ATP 0.03994 0.4229 4.19162
20 3LRE ADP 0.04228 0.41961 4.19162
21 3BWR GAL NGA SIA GAL BGC 0.04929 0.4158 4.79042
22 5O4F 8VE 0.04597 0.40379 4.79042
23 3SXN COA 0.02643 0.40168 5.38922
24 4NYT PC 0.007511 0.45224 5.98802
25 4XDY HIO 0.01353 0.44401 5.98802
26 1QPR PPC 0.01311 0.41587 5.98802
27 3FHR P4O 0.01805 0.41511 6.58683
28 5MPQ BLG 0.03675 0.41208 6.58683
29 5TME UDP 0.005806 0.45848 7.18563
30 1QHH ATP 0.03427 0.41368 7.18563
31 1U5R ATP 0.03457 0.4042 7.47126
32 1TV5 N8E 0.009749 0.46817 7.78443
33 3TW1 AHN 0.01504 0.44573 7.78443
34 1K7L 544 0.01582 0.40426 7.78443
35 5E5U MLI 0.0102 0.46104 8.38323
36 5F7J ADE 0.03901 0.422 8.38323
37 5MZN ADP 0.03976 0.42112 8.38323
38 5LX9 OLB 0.02516 0.41735 8.38323
39 4HA9 NDP 0.0000001309 0.42668 8.98204
40 1NW4 IMH 0.04071 0.40654 8.98204
41 3WVR AMP 0.04798 0.40282 8.98204
42 1TMX HGX 0.02434 0.40335 10.1796
43 2CBZ ATP 0.04618 0.41422 10.9705
44 1YQT ADP 0.03724 0.42502 11.3772
45 1H3F TYE 0.04048 0.4212 11.3772
46 5BXV MGP 0.02684 0.43367 11.976
47 2QV7 ADP 0.01921 0.42002 11.976
48 3HBF UDP 0.0141 0.41728 11.976
49 1ZDU P3A 0.01169 0.40755 11.976
50 3KYG 5GP 5GP 0.03483 0.40125 13.1737
51 1XPJ TLA 0.01502 0.45137 18.254
52 2FKA BEF 0.02644 0.41327 40
53 4EIL NDP 0.000000000002957 0.55958 47.9042
54 4EIL FOL 0.00000001301 0.40959 47.9042
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