Receptor
PDB id Resolution Class Description Source Keywords
2gmv 2.3 Å EC: 4.1.1.32 PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR HOMO SAPIENS GLUCONEOGENESIS XANTHINE INHIBITOR LYASE
Ref.: C-8 MODIFICATIONS OF 3-ALKYL-1,8-DIBENZYLXANTHINES AS INHIBITORS OF HUMAN CYTOSOLIC PHOSPHOENOLPYRUVATE CARBOXYKINASE. BIOORG.MED.CHEM.LETT. V. 17 3835 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:701;
B:701;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PEP A:702;
B:702;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
UN8 A:703;
Valid;
none;
ic50 = 0.63 uM
565.619 C27 H28 F N7 O4 S CCCCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GMV 2.3 Å EC: 4.1.1.32 PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR HOMO SAPIENS GLUCONEOGENESIS XANTHINE INHIBITOR LYASE
Ref.: C-8 MODIFICATIONS OF 3-ALKYL-1,8-DIBENZYLXANTHINES AS INHIBITORS OF HUMAN CYTOSOLIC PHOSPHOENOLPYRUVATE CARBOXYKINASE. BIOORG.MED.CHEM.LETT. V. 17 3835 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
2 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
5 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
9 4GNQ - OXL C2 O4 C(=O)(C(=O....
10 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
11 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
15 4GMU - OXL C2 O4 C(=O)(C(=O....
16 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
17 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
18 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
19 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
20 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
21 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
22 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
23 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
24 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
25 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
26 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
27 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
28 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
29 4GNM - OXL C2 O4 C(=O)(C(=O....
30 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
31 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
33 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
34 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
35 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
36 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
37 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
40 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
41 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
42 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
43 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
44 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
45 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
46 2QZY - PEP C3 H5 O6 P C=C(C(=O)O....
47 2FAH Ki = 50 mM MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R43 Kd = 9.3 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
6 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
10 4GNQ - OXL C2 O4 C(=O)(C(=O....
11 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
12 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
16 4GMU - OXL C2 O4 C(=O)(C(=O....
17 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
18 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
19 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
20 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
21 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
22 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
23 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
24 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
25 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
26 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
27 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
28 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
29 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
30 4GNM - OXL C2 O4 C(=O)(C(=O....
31 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
32 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
33 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
34 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
35 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
36 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
37 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
40 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
41 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
42 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
43 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
44 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
45 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
46 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
47 2QZY - PEP C3 H5 O6 P C=C(C(=O)O....
48 2FAH Ki = 50 mM MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Ligand no: 2; Ligand: UN8; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 UN8 1 1
2 FTB 0.682692 0.764045
3 TSX 0.431034 0.703297
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GMV; Ligand: UN8; Similar sites found: 114
This union binding pocket(no: 1) in the query (biounit: 2gmv.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1R2Q GNP 0.001036 0.43248 None
2 1TU3 GNP 0.002749 0.40723 None
3 4DCT GDP 0.0004231 0.48598 1.75439
4 1G7S GDP 0.007593 0.42489 2.0202
5 4YS0 ADP 0.006237 0.41742 2.08
6 3RC3 ANP 0.0165 0.41633 2.08
7 2XTN GTP 0.001389 0.40221 2.13675
8 1XKV ATP 0.00007244 0.42529 2.26843
9 4AG5 ADP 0.001301 0.48034 2.29592
10 3TMK T5A 0.003891 0.4028 2.31481
11 2XT3 ADP 0.001588 0.47389 2.32558
12 3Q3H UDP 0.01744 0.41943 2.56
13 4OHY ANP 0.004834 0.40601 2.78422
14 5JCP GDP ALF 0.006403 0.4169 2.86396
15 1X6V ADP 0.003806 0.40317 2.88
16 2OBM ADP 0.0005346 0.50381 2.88184
17 1V8K ANP 0.003933 0.44341 2.92683
18 3REF GDP 0.005135 0.41104 3.09278
19 1M2Z BOG 0.004802 0.47277 3.11284
20 3GJ0 GDP 0.002348 0.45459 3.16742
21 5BQ5 ADP BEF 0.0008162 0.46702 3.1746
22 2BIF ANP 0.002957 0.41294 3.19829
23 2BIF SIN 0.00521 0.41294 3.19829
24 5L3V GDP 0.0002561 0.40008 3.34448
25 4A4Z ANP 0.00563 0.43563 3.36
26 2OFW ADX 0.004591 0.4111 3.36538
27 4LYA ATP 0.001864 0.45463 3.39893
28 1KO8 6PG 0.0004347 0.4059 3.42857
29 3Q9L ATP 0.008165 0.41208 3.46154
30 4IEE AGS 0.02332 0.40858 3.46939
31 2IYL GDP 0.00005774 0.40851 3.52113
32 4M9Q GNP 0.006876 0.40559 3.52423
33 5L3R GCP 0.001288 0.42971 3.65448
34 3LRE ADP 0.00103 0.47911 3.66197
35 2PEZ DAT 0.004621 0.40391 3.91061
36 2PEZ GGZ 0.004621 0.40391 3.91061
37 3EZ2 ADP 0.008137 0.43211 4.0201
38 3DZD ADP 0.0052 0.42478 4.07609
39 1TQ4 GDP 0.0008807 0.40477 4.11622
40 4B47 GDP 0.002931 0.45482 4.13223
41 4WZ6 ATP 0.005479 0.44738 4.13793
42 4QOS ADP 0.001977 0.44874 4.15094
43 1SQ5 ADP 0.0004187 0.4862 4.22078
44 1ZJ6 G3D 0.00246 0.44877 4.27807
45 1D2N ANP 0.003491 0.42163 4.41176
46 2QV7 ADP 0.01278 0.40655 4.45104
47 4BQS ADP 0.002005 0.42223 4.54545
48 4BQS K2Q 0.002005 0.42223 4.54545
49 5L3W GDP 0.00009035 0.41374 4.57516
50 2CJW GDP 0.0008256 0.47722 4.6875
51 5L3S GNP 0.001768 0.40379 4.72973
52 1Z2A GDP 0.002738 0.41941 4.7619
53 5VGR GDP 0.00164 0.44388 4.87239
54 4RW3 SHV 0.02495 0.41902 4.96689
55 1JJ7 ADP 0.00285 0.45512 5
56 2CBZ ATP 0.0004442 0.50582 5.06329
57 2DPY ADP 0.000157 0.52685 5.47945
58 5IRR GSP 0.001474 0.43427 5.51948
59 4DKX GDP 0.0008833 0.47576 5.55556
60 2FH5 GTP 0.007733 0.40651 5.60748
61 4XGU ADP 0.003225 0.43049 5.66038
62 4PPF FLC 0.0004773 0.48333 5.71429
63 3NKV GNP 0.00535 0.40133 5.71429
64 2C04 GCP 0.0002679 0.41547 5.72391
65 1I4D GDP 0.001449 0.47046 5.72917
66 1JI0 ATP 0.004027 0.45295 5.83333
67 1G4U GDP 0.006654 0.41267 5.97826
68 3GJ7 GDP 0.003148 0.44823 6.12245
69 5KUT GDP 0.0001955 0.40529 6.34921
70 5FTB ANP 0.007104 0.42227 6.69746
71 2PL3 ADP 0.0008483 0.48234 6.77966
72 2F9L GDP 0.002434 0.42156 7.03518
73 1B7T ADP 0.009789 0.41562 7.05128
74 5GOE GDP 0.000719 0.46964 7.109
75 1IHU ADP 0.0005183 0.41818 7.13073
76 1IHU AF3 0.0003902 0.41773 7.13073
77 1KK8 BEF ADP 0.0035 0.42887 7.14286
78 1OIV GDP 0.001972 0.40616 7.32984
79 5XDR ADP 0.01722 0.40749 7.36
80 2BCG GDP 0.001671 0.43946 7.72627
81 5LX9 OLB 0.01921 0.40161 7.81759
82 3B5J 12D 0.02871 0.40795 7.81893
83 5JCZ GDP 0.002085 0.43518 7.82123
84 2A5J GDP 0.0008139 0.46708 7.8534
85 1QHH ATP 0.004506 0.43595 8.05861
86 1HE1 GDP 0.007992 0.40588 8.14815
87 4WZA ACP 0.01705 0.40311 8.33333
88 4WZA ADP 0.01815 0.40192 8.33333
89 4YDS ATP 0.005865 0.44437 8.77193
90 3U6B GDP 0.001713 0.46674 8.88325
91 2X77 GDP 0.002391 0.44937 9.52381
92 1NRJ GTP 0.001045 0.40018 9.63303
93 2QN6 GDP 0.001501 0.46967 9.67742
94 1G3Q ADP 0.003405 0.44188 9.70464
95 4LHW GNP 0.004707 0.40359 9.77011
96 5TAR GDP 0.001903 0.44511 10.1351
97 1G7C 5GP 0.002643 0.45203 10.6383
98 1J2J GTP 0.006881 0.40257 10.8434
99 1S9D GDP 0.002703 0.44677 10.9756
100 4HI0 GDP 0.001154 0.40075 11.5578
101 1YTM ATP 0.0001419 0.4824 11.6541
102 1YTM OXD 0.02313 0.40642 11.6541
103 4V0K GDP 0.003268 0.42647 11.8343
104 3WY9 GDP 0.004403 0.44577 12.5
105 1OS1 ATP 0.0006579 0.43309 12.5926
106 1OS1 PYR 0.0007206 0.43309 12.5926
107 3QBT GNP 0.004889 0.40292 12.8571
108 5DI3 GNP 0.008099 0.40254 12.973
109 1Z0K GTP 0.006459 0.40373 13.0435
110 5KDO GDP 0.007364 0.40743 14.8649
111 5E95 GDP 0.002294 0.43723 15.4639
112 2OM2 GDP 0.008146 0.40551 16.6667
113 3MJH GTP 0.004217 0.40552 17.6471
114 4CVN ADP 0.0001258 0.5319 24.0876
Pocket No.: 2; Query (leader) PDB : 2GMV; Ligand: PEP; Similar sites found: 86
This union binding pocket(no: 2) in the query (biounit: 2gmv.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DCT GDP 0.0005792 0.48254 1.75439
2 1G7S GDP 0.008802 0.42448 2.0202
3 3RC3 ANP 0.01854 0.41633 2.08
4 4YS0 ADP 0.00955 0.41168 2.08
5 4AG5 ADP 0.001481 0.48034 2.29592
6 3TMK T5A 0.001239 0.41457 2.31481
7 2XT3 ADP 0.001799 0.47389 2.32558
8 4OHY ANP 0.001985 0.42495 2.78422
9 5JCP GDP ALF 0.0102 0.41036 2.86396
10 2OBM ADP 0.002524 0.47155 2.88184
11 1V8K ANP 0.004369 0.44397 2.92683
12 3REF GDP 0.007734 0.40615 3.09278
13 3GJ0 GDP 0.002919 0.45279 3.16742
14 5BQ5 ADP BEF 0.001189 0.46232 3.1746
15 4A4Z ANP 0.006137 0.43655 3.36
16 4LYA ATP 0.004262 0.43998 3.39893
17 3Q9L ATP 0.008029 0.42645 3.46154
18 4IEE AGS 0.0262 0.4085 3.46939
19 4M9Q GNP 0.01044 0.4005 3.52423
20 5L3R GCP 0.006356 0.40388 3.65448
21 3LRE ADP 0.001166 0.47911 3.66197
22 3EZ2 ADP 0.01698 0.41831 4.0201
23 3DZD ADP 0.008207 0.41827 4.07609
24 5H56 TYD 0.003441 0.40102 4.10256
25 5H56 ADP 0.003441 0.40102 4.10256
26 4B47 GDP 0.003455 0.45405 4.13223
27 4WZ6 ATP 0.009299 0.43812 4.13793
28 4QOS ADP 0.002281 0.44874 4.15094
29 1SQ5 ADP 0.0007466 0.47713 4.22078
30 1ZJ6 G3D 0.003757 0.44267 4.27807
31 4BQS K2Q 0.004245 0.40392 4.54545
32 4BQS ADP 0.004245 0.40392 4.54545
33 2CJW GDP 0.001193 0.47232 4.6875
34 1Z2A GDP 0.004972 0.41133 4.7619
35 5VGR GDP 0.002247 0.44061 4.87239
36 1JJ7 ADP 0.004306 0.44909 5
37 2CBZ ATP 0.0007797 0.49695 5.06329
38 2DPY ADP 0.00039 0.5094 5.47945
39 5IRR GSP 0.00291 0.42453 5.51948
40 4DKX GDP 0.001521 0.46702 5.55556
41 2FH5 GTP 0.0121 0.40064 5.60748
42 4XGU ADP 0.003887 0.42966 5.66038
43 4PPF FLC 0.000541 0.48333 5.71429
44 3NKV GNP 0.003719 0.41992 5.71429
45 1I4D GDP 0.00245 0.46174 5.72917
46 1JI0 ATP 0.004483 0.45335 5.83333
47 1G4U GDP 0.009494 0.40848 5.97826
48 3GJ7 GDP 0.003756 0.44728 6.12245
49 2YOH WMJ 0.001001 0.40801 6.66667
50 5FTB ANP 0.00817 0.42211 6.69746
51 2PL3 ADP 0.001504 0.47266 6.77966
52 2F9L GDP 0.00346 0.41802 7.03518
53 1B7T ADP 0.014 0.41083 7.05128
54 5GOE GDP 0.001837 0.45325 7.109
55 1KK8 BEF ADP 0.01616 0.40112 7.14286
56 5XDR ADP 0.01887 0.40812 7.36
57 2BCG GDP 0.002876 0.43186 7.72627
58 3B5J 12D 0.03199 0.40795 7.81893
59 5JCZ GDP 0.003731 0.42677 7.82123
60 2A5J GDP 0.00141 0.45878 7.8534
61 1QHH ATP 0.005044 0.43638 8.05861
62 1HE1 GDP 0.01231 0.40031 8.14815
63 4YDS ATP 0.009202 0.4368 8.77193
64 3U6B GDP 0.002393 0.46227 8.88325
65 2X77 GDP 0.004757 0.43764 9.52381
66 2QN6 GDP 0.001778 0.46892 9.67742
67 1G3Q ADP 0.006942 0.42956 9.70464
68 4LHW GNP 0.005981 0.40499 9.77011
69 5TAR GDP 0.003082 0.43828 10.1351
70 1G7C 5GP 0.004846 0.44171 10.6383
71 1P72 ADP 0.002321 0.41031 10.7784
72 1J2J GTP 0.008127 0.40226 10.8434
73 1S9D GDP 0.003423 0.44466 10.9756
74 1YTM OXD 0.000006102 0.5947 11.6541
75 1YTM ATP 0.001158 0.44565 11.6541
76 4V0K GDP 0.004478 0.41023 11.8343
77 3WY9 GDP 0.004763 0.44686 12.5
78 1OS1 PYR 0.000002327 0.52173 12.5926
79 1OS1 ATP 0.000001846 0.52114 12.5926
80 5DI3 GNP 0.01025 0.40084 12.973
81 5KDO GDP 0.01053 0.40332 14.8649
82 5E95 GDP 0.004055 0.42881 15.4639
83 3H86 AP5 0.004825 0.40056 15.625
84 2OM2 GDP 0.009036 0.40626 16.6667
85 3MJH GTP 0.006526 0.40061 17.6471
86 4CVN ADP 0.0001359 0.53358 24.0876
Pocket No.: 3; Query (leader) PDB : 2GMV; Ligand: PEP; Similar sites found: 19
This union binding pocket(no: 3) in the query (biounit: 2gmv.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IGA XXP 0.01302 0.41571 1.64384
2 2IGA XX2 0.01585 0.41321 1.64384
3 2IGA XX3 0.02018 0.40788 1.64384
4 1MO9 KPC 0.01023 0.46627 1.91205
5 1MO9 FAD 0.01267 0.45856 1.91205
6 1QPG MAP 0.04057 0.40137 2.16867
7 1F06 NDP 0.04842 0.40204 2.1875
8 1F06 2NP 0.04842 0.40204 2.1875
9 1NZY BCA 0.01683 0.41882 2.23048
10 4O6M C5P 0.01468 0.41133 3.22581
11 3NT6 FAD 0.01431 0.42275 3.3101
12 3NTD FAD 0.009702 0.42803 3.36283
13 2BJK NAD 0.01239 0.42544 3.48837
14 4I42 1HA 0.0338 0.40392 3.85965
15 5KF6 NAD 0.03138 0.40257 4.64
16 2VAR KDG 0.00911 0.41052 4.79233
17 3HBN UDP 0.01403 0.41314 4.96454
18 2WOX NDP 0.0008751 0.50209 5.93047
19 1YLH PYR 0.0000113 0.49385 6.78571
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