Receptor
PDB id Resolution Class Description Source Keywords
1Q7B 2.05 Å EC: 1.1.1.100 THE STRUCTURE OF BETAKETOACYL-[ACP] REDUCTASE FROM E. COLI IN COMPLEX WITH NADP+ ESCHERICHIA COLI OXOACYL REDUCTASE; NADP+; CRYSTAL STRUCTURE OXIDOREDUCTASE
Ref.: COFACTOR-INDUCED CONFORMATIONAL REARRANGEMENTS ESTABLISH A CATALYTICALLY COMPETENT ACTIVE SITE AND A PROTON RELAY CONDUIT IN FABG STRUCTURE V. 12 417 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:9002;
A:9006;
A:9007;
B:9001;
B:9003;
B:9008;
C:9004;
D:9005;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAP A:1901;
B:2901;
C:3901;
D:4901;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 3.5 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q7B 2.05 Å EC: 1.1.1.100 THE STRUCTURE OF BETAKETOACYL-[ACP] REDUCTASE FROM E. COLI IN COMPLEX WITH NADP+ ESCHERICHIA COLI OXOACYL REDUCTASE; NADP+; CRYSTAL STRUCTURE OXIDOREDUCTASE
Ref.: COFACTOR-INDUCED CONFORMATIONAL REARRANGEMENTS ESTABLISH A CATALYTICALLY COMPETENT ACTIVE SITE AND A PROTON RELAY CONDUIT IN FABG STRUCTURE V. 12 417 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
4 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
5 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
6 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
7 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
8 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
10 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
11 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
12 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
13 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
14 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q7B; 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: 1q7b.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Q7B; Ligand: NAP; 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: 1q7b.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Q7B; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1q7b.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Q7B; Ligand: NAP; Similar sites found: 221
This union binding pocket(no: 4) in the query (biounit: 1q7b.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5L4L 7OX 0.000009125 0.50839 1.63934
2 5L4L NAP 0.000001218 0.50762 1.63934
3 4ZRN NAD 0.00000003867 0.59466 2.04918
4 4ZRN UPG 0.0000002689 0.58443 2.04918
5 2JL1 NAP 0.0001393 0.42916 2.04918
6 2G5C NAD 0.001117 0.41302 2.04918
7 2YYY NAP 0.001551 0.41023 2.04918
8 2YY7 NAD 0.00000007963 0.5765 2.45902
9 2VDV SAM 0.01576 0.4096 2.45902
10 3UOY NAP 0.01133 0.40913 2.45902
11 3UOY FAD 0.01133 0.40913 2.45902
12 4DPL NAP 0.00233 0.40626 2.45902
13 4NEC SAH 0.02052 0.40403 2.45902
14 5N53 8NB 0.02625 0.4135 2.5641
15 1I2B NAD 0.00000104 0.56683 2.86885
16 1R6D NAD 0.000001002 0.56632 2.86885
17 1R6D DAU 0.000002804 0.54699 2.86885
18 2GZ3 NAP 0.0002584 0.46435 2.86885
19 1I2B USQ 0.004063 0.44891 2.86885
20 1I2B UPG 0.004063 0.44891 2.86885
21 1UXG NAD 0.0006146 0.43866 2.86885
22 1U1I NAD 0.001532 0.41845 2.86885
23 4UP4 NDG 0.03188 0.41681 2.86885
24 4UP4 NAG 0.03188 0.41681 2.86885
25 1HDG NAD 0.002418 0.41665 2.86885
26 1E5Q NDP 0.0006068 0.42527 3.27869
27 1CF2 NAP 0.0009788 0.41105 3.27869
28 4KP7 NAP 0.006029 0.40839 3.27869
29 3WQQ NDP 0.004447 0.40821 3.27869
30 3WQQ IB3 0.004447 0.40821 3.27869
31 1LDN NAD 0.002271 0.40805 3.27869
32 4KP7 1UQ 0.005661 0.40596 3.27869
33 1UWK NAD 0.008832 0.40003 3.27869
34 1UWK URO 0.008832 0.40003 3.27869
35 1YQZ FAD 0.0122 0.40338 3.42466
36 1Z45 NAD 0.0000001401 0.56508 3.68852
37 2EXX NAP 0.00008621 0.46635 3.68852
38 1PZG A3D 0.001486 0.42257 3.68852
39 1RM0 D6P 0.003777 0.41743 3.68852
40 1RM0 NAI 0.004328 0.41243 3.68852
41 1M32 PLP 0.04538 0.40228 3.68852
42 4XB2 HSE 0.001568 0.41549 4.09836
43 4XB2 NDP 0.0004519 0.4114 4.09836
44 1CER NAD 0.003381 0.40799 4.09836
45 3L4S NAD 0.00295 0.40505 4.09836
46 3L4S 3PG 0.003183 0.40505 4.09836
47 2F1K NAP 0.001439 0.40283 4.09836
48 2HJR APR 0.0004092 0.41395 4.26829
49 1ORR NAD 0.00000002243 0.60164 4.5082
50 3WMX NAD 0.000000102 0.55508 4.5082
51 4BWL MN9 0.02559 0.41719 4.5082
52 1EZ4 NAD 0.001388 0.40589 4.5082
53 1Q0H NDP 0.008498 0.40239 4.5082
54 1Q0H FOM 0.008276 0.40116 4.5082
55 1EK6 NAI 0.0000003413 0.58536 4.91803
56 1EK6 UPG 0.000001283 0.56423 4.91803
57 5T9E NAP 0.001513 0.40531 4.91803
58 4OOE NDP 0.01523 0.40762 4.9505
59 4OOE FOM 0.01523 0.40762 4.9505
60 2DTJ THR 0.03311 0.40067 5.05618
61 2V6G NAP 0.0000004349 0.54862 5.32787
62 1EQ2 NAP 0.00000882 0.4974 5.32787
63 5KKA 6V0 0.001894 0.41237 5.32787
64 3LST SAH 0.02132 0.40322 5.32787
65 2BKA NDP 0.000001125 0.52652 5.3719
66 3G2O SAM 0.01259 0.40419 5.68562
67 4TQG NDP 0.000000004499 0.61538 5.7377
68 1BXK NAD 0.0000001581 0.55826 5.7377
69 1KEW TYD 0.000002158 0.54924 5.7377
70 1KEW NAD 0.000004071 0.53927 5.7377
71 3KO8 NAD 0.000000009417 0.61382 6.14754
72 5MSO NAP 0.00000003686 0.57069 6.14754
73 2Q1S NAI 0.00001057 0.51417 6.14754
74 4ZVV NAD 0.003728 0.42468 6.14754
75 4ZVV GN0 0.003728 0.42468 6.14754
76 9LDB NAD 0.00111 0.41982 6.14754
77 9LDT NAD 0.001282 0.41744 6.14754
78 4MDH NAD 0.001821 0.41576 6.14754
79 5MDH NAD 0.001057 0.41242 6.14754
80 2WPF FAD 0.0212 0.40853 6.14754
81 1HYE NAP 0.0007738 0.40432 6.14754
82 2WPF WPF 0.02872 0.40271 6.14754
83 1GY8 NAD 0.0000001798 0.56313 6.55738
84 2Q1W NAD 0.0000008069 0.5404 6.55738
85 5JAQ NAI 0.00005749 0.48006 6.55738
86 3ABI NAD 0.000774 0.42428 6.55738
87 1BZL FAD 0.02249 0.40782 6.55738
88 1GV0 NAD 0.002596 0.4045 6.55738
89 2GN4 NDP 0.00000004262 0.66082 6.96721
90 2GN4 UD1 0.00000008367 0.65016 6.96721
91 3LU1 NAD 0.000000008783 0.61034 6.96721
92 1RKX NAD 0.00000002924 0.58242 6.96721
93 1WVG APR 0.0000008171 0.51558 6.96721
94 1V6A TRE 0.001802 0.47737 6.96721
95 4PLG NAI 0.001219 0.42591 6.96721
96 1T26 NAI 0.001722 0.42548 6.96721
97 2A92 NAI 0.001573 0.41543 6.96721
98 5UAV TFB 0.004026 0.40466 6.96721
99 5UAV NDP 0.004026 0.40466 6.96721
100 1HDR NAD 0.00003206 0.50084 7.37705
101 3CMC NAD 0.01168 0.40798 7.37705
102 1M2W NAD 0.005981 0.40631 7.37705
103 4U7W NDP 0.00000001768 0.58767 7.78689
104 4R1S NAP 0.00000004505 0.56579 7.78689
105 3VPH NAD 0.00184 0.41414 8.06452
106 3VPH OXM 0.003673 0.40505 8.06452
107 1SB8 UD2 0.0000000674 0.61272 8.19672
108 1SB8 NAD 0.00000009656 0.60094 8.19672
109 1UDB NAD 0.0000003042 0.58488 8.19672
110 1OC2 NAD 0.000003015 0.54904 8.19672
111 1OC2 TDX 0.000003015 0.54904 8.19672
112 1Y1P NMN AMP PO4 0.000001566 0.49559 8.19672
113 1UDB UFG 0.009413 0.43026 8.19672
114 2OBF SAH 0.001762 0.42509 8.19672
115 2OBF F83 0.001762 0.42509 8.19672
116 1LTH NAD 0.0009953 0.40451 8.19672
117 1I0Z NAI 0.003002 0.40212 8.19672
118 3CIF G3H 0.004296 0.40007 8.19672
119 1V35 NAI 0.000001665 0.54316 8.60656
120 4AP3 FAD 0.01221 0.40402 8.60656
121 4AP3 NAP 0.01221 0.40402 8.60656
122 5IN4 NAP 0.000008019 0.58329 9.01639
123 5IN4 6CK 0.000007852 0.58329 9.01639
124 5IN4 GDP 0.000008846 0.58006 9.01639
125 1E7S NAP 0.00000009585 0.57555 9.01639
126 2Z9I GLY ALA THR VAL 0.01496 0.43244 9.01639
127 5MW4 5JU 0.006607 0.40045 9.01639
128 1RPN NDP 0.0000002088 0.51695 9.42623
129 5T9F TYR 0.001773 0.41959 9.42623
130 5T9F NAP 0.001951 0.41683 9.42623
131 1YKJ PHB 0.01227 0.40523 9.42623
132 1YKJ FAD 0.01227 0.40523 9.42623
133 2C5A GDC 0.0000009227 0.56778 9.83607
134 2C5A NAD 0.0000009227 0.56778 9.83607
135 4GLL NAD 0.00000007002 0.58073 11.0656
136 1ZK7 FAD 0.007758 0.40229 11.0656
137 5F5N NAD 0.000004669 0.49575 11.4187
138 2Q46 NAP 0.00000001002 0.60292 11.8852
139 1HDO NAP 0.000003579 0.51931 12.1359
140 4YCA NDP 0.005113 0.40086 12.2951
141 1VL0 NAI 0.000000005414 0.59337 12.7049
142 1NVM NAD 0.003492 0.40097 12.7049
143 1SOW NAD 0.001118 0.42107 13.9344
144 3I6I NDP 0.0001158 0.46689 14.3443
145 4PIV NDP 0.000000638 0.54233 14.7541
146 3A4V PYR 0.000000005765 0.63051 15.1639
147 3A4V NAD 0.000000005765 0.63051 15.1639
148 2PK3 A2R 0.00000008794 0.51716 15.1639
149 3GGO ENO 0.004212 0.40914 15.1639
150 3GGO NAI 0.004212 0.40914 15.1639
151 1N7G NDP 0.0000002854 0.60385 16.3934
152 1N7G GDR 0.0000003221 0.58879 16.3934
153 4PVD NDP 0.0000001653 0.54604 16.8033
154 2X6T NAP 0.000003576 0.51216 16.8033
155 4EUE NAI 0.00001186 0.49607 17.2131
156 3ORF NAD 0.0000002888 0.54863 19.2623
157 2C29 NAP 0.000001511 0.54767 19.2623
158 2C29 DQH 0.000001836 0.54431 19.2623
159 4HXY NDP 0.000000006806 0.61688 19.4064
160 1YB5 NAP 0.003217 0.40609 20.4918
161 2PZM UDP 0.000002531 0.53878 21.3115
162 2PZM NAD 0.000002531 0.53878 21.3115
163 3O26 NDP 0.0000000007144 0.65134 22.9508
164 3RFV NAI 0.0000006293 0.53197 29.5082
165 3RFV 15L 0.0000303 0.46645 29.5082
166 3TN7 NJP 0.0000000002462 0.67138 30.7377
167 1D7O NAD 0.000001326 0.54089 33.1967
168 5L4S NAP 0.000000001316 0.65741 34.2767
169 5L4S 6KX 0.000000001316 0.65741 34.2767
170 3RJ5 NAD 0.000000001105 0.66241 34.4262
171 1NNU TCT 0.000008775 0.54843 35
172 1NNU NAD 0.000009745 0.54573 35
173 4YAG NAI 0.0000000009893 0.67204 35.6557
174 4Q9N NAI 0.000001385 0.52961 35.6557
175 1OAA OAA 0.00000001776 0.62416 37.2951
176 5GT9 NAP 0.000000007958 0.61431 37.7049
177 4K26 SFF 0.000000004709 0.6398 38.5246
178 4K26 NDP 0.000000001827 0.63847 38.5246
179 1A27 NAP 0.000000002681 0.62973 38.5246
180 3HB5 NAP 0.00000000002501 0.55867 38.5246
181 3CH6 NAP 0.00000002805 0.63837 38.9344
182 3CH6 311 0.00000002805 0.63837 38.9344
183 1SNY NAP 0.00000001277 0.5882 38.9344
184 1N5D NDP 0.000000002571 0.63286 39.7541
185 2BD0 NAP 0.00000000008892 0.69073 40.1639
186 1WMA NDP 0.00000000448 0.64787 40.1639
187 1WMA AB3 0.00000000448 0.64787 40.1639
188 1GZ6 NAI 0.00000001689 0.59085 40.9836
189 3WXB NDP 0.0000000001421 0.6666 41.3934
190 1ZBQ NAD 0.00000004306 0.58875 41.3934
191 4O0L NDP 0.0000000001744 0.67704 41.8182
192 2PD4 DCN 0.0000005986 0.55086 42.2131
193 2PD4 NAD 0.0000006826 0.54866 42.2131
194 1XSE NDP 0.0000000007175 0.67373 42.623
195 5L53 NAP 0.00000000005724 0.63387 43.4426
196 2DKN NAI 0.0000000004445 0.65229 44.6721
197 4D42 W0I 0.0000003773 0.57982 44.6721
198 4D42 NAP 0.0000003773 0.57982 44.6721
199 4OHU NAD 0.0000007 0.575 44.6721
200 4OHU 2TK 0.0000007 0.575 44.6721
201 1FK8 NAD 0.0000000005607 0.62761 45.4918
202 2WYV NAD 0.000001313 0.52852 45.4918
203 3OJF IMJ 0.0000003956 0.56773 45.9016
204 3OJF NDP 0.0000003621 0.55926 45.9016
205 4J7U YTZ 0.0000001797 0.58279 46.3115
206 4J7U NAP 0.0000001797 0.58279 46.3115
207 1Z6Z NAP 0.00000008823 0.57264 46.3115
208 1QG6 NAD 0.0000007555 0.5596 46.7213
209 1QG6 TCL 0.0000007555 0.5596 46.7213
210 1XG5 NAP 0.00000000421 0.62476 47.1311
211 5CG1 NAD BBN 0.000001478 0.56705 47.1311
212 4O1M NAD 0.0000005936 0.5415 47.541
213 3OIG NAD 0.000001189 0.52147 47.541
214 4ITU NAI 0.0000000004287 0.66722 47.5836
215 4ITU 1HS 0.00000000131 0.66722 47.5836
216 3GEG NAD 0.000000000264 0.65353 47.9508
217 3D3W NAP 0.00000000195 0.64212 47.9508
218 2JAH NDP 0.00000000006044 0.69444 49.1803
219 4OSP NAP 0.000000000007786 0.71686 49.5902
220 3H4V DVP 0.000000002502 0.65612 49.5902
221 3H4V NAP 0.000000008665 0.63307 49.5902
222 2AE2 NAP 0.00000000004624 0.72045 50
223 2AE2 PTO 0.00000000004624 0.72045 50
224 3AFN NAP 0.00000000007365 0.69641 50
225 4FC7 NAP 0.0000000002435 0.6961 50
226 4FC7 COA 0.0000000002435 0.6961 50
227 1ZEM NAD 0.0000000002694 0.64541 50
228 3ZV6 NAD 0.000000004368 0.64478 50
229 3ZV6 4HB 0.000000004846 0.64478 50
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