Receptor
PDB id Resolution Class Description Source Keywords
1BZL 2.4 Å EC: 1.6.4.8 CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-B ASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS TRYPANOSOMA CRUZI OXIDOREDUCTASE TRYPANOTHIONE REDUCTASE FAD DEPENDENT DISULPHIDE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-BASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS. STRUCTURE FOLD.DES. V. 7 81 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:601;
B:602;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GCG A:603;
A:604;
Valid;
Valid;
none;
none;
submit data
723.862 C27 H49 N9 O10 S2 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BZL 2.4 Å EC: 1.6.4.8 CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-B ASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS TRYPANOSOMA CRUZI OXIDOREDUCTASE TRYPANOTHIONE REDUCTASE FAD DEPENDENT DISULPHIDE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-BASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS. STRUCTURE FOLD.DES. V. 7 81 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AOG - MAE C4 H4 O4 C(=C/C(=O)....
2 1BZL - GCG C27 H49 N9 O10 S2 C(CCNC(=O)....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NEV Ki = 12 uM 2JR C21 H25 N3 S c1cc2c(cc[....
2 2WPE ic50 = 0.86 uM WPE C22 H20 Cl N3 O2 CC1=Nc2ccc....
3 2WOW - GCG C27 H49 N9 O10 S2 C(CCNC(=O)....
4 2WOV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 2WPF ic50 = 0.23 uM WPF C21 H26 Cl N3 Cc1ccc(cc1....
6 2WP6 ic50 = 0.93 uM WP6 C22 H19 Cl N2 CC1=Nc2ccc....
7 2WOI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 2WPC ic50 = 0.42 uM WP7 C26 H27 Cl N4 O2 CC1=Nc2ccc....
9 2WBA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 1AOG - MAE C4 H4 O4 C(=C/C(=O)....
11 1BZL - GCG C27 H49 N9 O10 S2 C(CCNC(=O)....
12 1FEC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1FEA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 2TPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1FEB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1GEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1GES - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1GET - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1GER - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 3DJJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 3GRS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1GRA - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1GRG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 5GRT - TS4 C34 H66 N12 O10 S2 C(CCNCCCNC....
10 3DJG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GRF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 3DK9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1XAN - HXP C16 H14 O5 c1cc2c(cc1....
14 1GRT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1GRB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 3DK8 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
17 1GSN - GSH C10 H17 N3 O6 S C(CC(=O)N[....
18 3SQP ic50 = 7 uM 3J8 C13 H10 N2 O CN1c2ccccc....
19 4GR1 - RGS C20 H32 N6 O12 S2 C(CNC(=O)[....
20 1K4Q - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1DNC - GSH C10 H17 N3 O6 S C(CC(=O)N[....
22 2NVK - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4NEV Ki = 12 uM 2JR C21 H25 N3 S c1cc2c(cc[....
24 2WPE ic50 = 0.86 uM WPE C22 H20 Cl N3 O2 CC1=Nc2ccc....
25 2WOW - GCG C27 H49 N9 O10 S2 C(CCNC(=O)....
26 2WPF ic50 = 0.23 uM WPF C21 H26 Cl N3 Cc1ccc(cc1....
27 2WP6 ic50 = 0.93 uM WP6 C22 H19 Cl N2 CC1=Nc2ccc....
28 2WPC ic50 = 0.42 uM WP7 C26 H27 Cl N4 O2 CC1=Nc2ccc....
29 2WBA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
30 1AOG - MAE C4 H4 O4 C(=C/C(=O)....
31 1BZL - GCG C27 H49 N9 O10 S2 C(CCNC(=O)....
32 3LAD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
33 1ZMD - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
34 2V6O - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
35 5U8V Kd = 84 mM FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
36 2R9Z - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
37 2RAB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
38 2HQM - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
39 1FEC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
40 1FEA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
41 2TPR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
42 1FEB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Ligand no: 2; Ligand: GCG; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 GCG 1 1
2 TS5 0.863636 0.976744
3 TS4 0.657895 0.934783
4 GSH 0.6 0.860465
5 HGS 0.558824 0.886364
6 HCG 0.507042 0.883721
7 3GC 0.484375 0.790698
8 GTS 0.44 0.622951
9 GSM 0.434211 0.804348
10 GDS 0.421053 0.847826
11 GS8 0.421053 0.74
12 GSF 0.415584 0.678571
13 AHE 0.410256 0.822222
14 HGD 0.405063 0.808511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BZL; Ligand: FAD; 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: 1bzl.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1BZL; Ligand: GCG; 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: 1bzl.bio1) has 65 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1BZL; Ligand: FAD; Similar sites found: 717
This union binding pocket(no: 3) in the query (biounit: 1bzl.bio1) has 84 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.009369 0.43195 None
2 1GQ2 NAP 0.0007227 0.47611 1.02881
3 3SSO SAH 0.000264 0.52157 1.19332
4 1ZBQ NAD 0.02788 0.40001 1.22324
5 1LJ8 NAD 0.007144 0.44774 1.23457
6 1M2W NAD 0.01152 0.43489 1.23457
7 3KJS NAP 0.03053 0.40386 1.23457
8 2D2I NAP 0.001022 0.48188 1.31579
9 4HXY NDP 0.005608 0.432 1.36986
10 1MUU NAD 0.0000368 0.54545 1.37615
11 1MV8 NAD 0.00005784 0.53232 1.37615
12 3L9W AMP 0.0001678 0.4976 1.45278
13 3L9W GSH 0.0004304 0.48608 1.45278
14 2YYY NAP 0.001068 0.4686 1.45773
15 3B20 NAD 0.0007062 0.48943 1.47493
16 3B1J NAD 0.000859 0.4699 1.47493
17 1U8X NAD 0.03048 0.40791 1.48305
18 3VSE SAH 0.009861 0.46427 1.50754
19 3S5W FAD 0.00000497 0.56335 1.51188
20 3S5W NAP 0.0001365 0.55555 1.51188
21 2AG8 NAP 0.000275 0.5207 1.52091
22 5H81 NAP 0.001645 0.47878 1.54242
23 1OMO NAD 0.0001308 0.52387 1.5528
24 2IXB NAD 0.002447 0.44752 1.57658
25 2IXB A2G 0.006084 0.41626 1.57658
26 4ZRN NAD 0.00706 0.42136 1.60256
27 2EG5 SAH 0.002548 0.49231 1.6129
28 1SQF SAM 0.002498 0.48055 1.6317
29 1GR0 NAD 0.001261 0.45229 1.63488
30 4N49 SAM 0.008738 0.4464 1.63551
31 4MIG G3F 0.000006987 0.50214 1.64609
32 1VKO NAD 0.008494 0.42209 1.64609
33 5TS5 FAD 0.000001112 0.55212 1.65289
34 1YS4 NAP 0.005781 0.45222 1.69492
35 3U4C NDP 0.01843 0.41369 1.77936
36 2QA1 FAD 0.0000004961 0.58862 1.85185
37 4HA6 FAD 0.000003364 0.5277 1.85185
38 2IID PHE 0.0000133 0.48044 1.85185
39 2IID FAD 0.0000133 0.48044 1.85185
40 4PIO AVI 0.01799 0.41209 1.85759
41 4PIO SAH 0.01622 0.41205 1.85759
42 1T26 NAI 0.002823 0.42171 1.86335
43 4RQU NAD 0.001442 0.46283 1.86667
44 1FP1 SAH 0.02866 0.43192 1.88172
45 1I36 NAP 0.007068 0.44508 1.89394
46 2RGH FAD 0.00003197 0.49984 1.92644
47 2X6T NAP 0.01303 0.41825 1.96078
48 4OOE NDP 0.03403 0.40569 1.9802
49 1N2X SAM 0.001768 0.4739 1.99336
50 1X7D NAD 0.0008085 0.47396 2
51 1X7D ORN 0.003584 0.42727 2
52 1E5Q NDP 0.009243 0.42704 2
53 4RSL FAD 0.00003368 0.51084 2.02247
54 3GDN FAD 0.000006729 0.51957 2.05761
55 2HHP FLC 0.003585 0.49244 2.05761
56 1COY FAD 0.0000433 0.49207 2.05761
57 3GDN HBX 0.00002056 0.48106 2.05761
58 1COY AND 0.00008167 0.45058 2.05761
59 3PT9 SAH 0.01701 0.43776 2.05761
60 1WP4 NDP 0.001851 0.4608 2.07612
61 2YX1 SFG 0.005669 0.47347 2.08333
62 1N5D NDP 0.01315 0.416 2.08333
63 4MDH NAD 0.01134 0.42534 2.09581
64 1DSS NAD 0.00005217 0.53843 2.1021
65 5MDH NAD 0.01387 0.42138 2.1021
66 2WK1 SAH 0.0295 0.42007 2.12766
67 3GMB FAD 0.000004915 0.55176 2.16867
68 2PK3 A2R 0.01328 0.44026 2.18069
69 1JA9 NDP 0.01827 0.40789 2.18978
70 2C7G ODP 0.000008101 0.48752 2.19298
71 2C7G FAD 0.000009605 0.48278 2.19298
72 2VAP GDP 0.02596 0.40703 2.1978
73 1DL5 SAH 0.005362 0.44257 2.2082
74 2I80 G1L 0.0327 0.43523 2.22222
75 2PX8 SAH 0.04084 0.41803 2.23048
76 4A0S NAP 0.02292 0.40553 2.23714
77 1NVM NAD 0.001135 0.46188 2.24359
78 3O9Z NAD 0.007981 0.40015 2.24359
79 5TTJ FAD 0.000004377 0.53613 2.2449
80 3G5S FAD 0.0000006725 0.57522 2.25734
81 2UYQ SAM 0.04335 0.43899 2.25806
82 1EQ2 NAP 0.01043 0.42471 2.25806
83 2VVM FAD 0.000002809 0.54021 2.26337
84 2VVL FAD 0.000003219 0.53469 2.26337
85 4C4A SAH 0.001524 0.48765 2.26337
86 4AF0 MOA 0.02137 0.45894 2.26337
87 3UOY FAD 0.00004156 0.44307 2.26337
88 3UOY NAP 0.00004156 0.44307 2.26337
89 3UCL CYH 0.00006718 0.44039 2.26337
90 3UCL NAP 0.00008541 0.43226 2.26337
91 2ZPA ADP 0.03155 0.42387 2.26337
92 1H5Q NAP 0.01321 0.41593 2.26415
93 4A6D SAM 0.03219 0.42073 2.26629
94 4DSG UDP 0.0001066 0.44133 2.27273
95 4DSG FAD 0.0001066 0.44133 2.27273
96 3WBF NAP 0.001607 0.46074 2.29508
97 3WBF API 0.004005 0.43373 2.29508
98 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.01442 0.43559 2.29885
99 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.0149 0.43488 2.29885
100 1YJQ NAP 0.004373 0.43213 2.31023
101 1Y8Q ATP 0.0001496 0.52113 2.31214
102 2PWY SAH 0.001763 0.47395 2.32558
103 4JJF FE9 0.001293 0.46779 2.32558
104 4JJF N2I 0.002056 0.45335 2.32558
105 1RYI FAD 0.0000283 0.49905 2.35602
106 2ZIF SAM 0.00342 0.46999 2.3569
107 2NXE SAM 0.004066 0.4697 2.3622
108 1XTP SAI 0.0155 0.43984 2.3622
109 3GRU AMP 0.002213 0.46924 2.37288
110 2Q1S NAI 0.00326 0.41761 2.38727
111 4PLG NAI 0.001041 0.44861 2.39521
112 2AOT SAH 0.0114 0.45337 2.39726
113 3O03 NAP 0.03442 0.40546 2.4055
114 2GLX NDP 0.01344 0.42912 2.40964
115 2EWM NAD 0.02625 0.40297 2.40964
116 4BLW SAH 0.01312 0.42715 2.42215
117 4BLW AMP 0.01502 0.40776 2.42215
118 1B8U NAD 0.005797 0.45523 2.43161
119 5BVA FAD 0.0000002624 0.56501 2.44499
120 1NJR XYL 0.02417 0.41046 2.46479
121 4K5S FAD 0.000004336 0.55786 2.46914
122 2Z3Y F2N 0.0000005129 0.5578 2.46914
123 3E1T FAD 0.0000005386 0.55702 2.46914
124 4MOP 2H5 0.00001 0.48926 2.46914
125 1O6Z NAD 0.0008312 0.4861 2.46914
126 4K5S PM0 0.00004371 0.47445 2.46914
127 5V4R MGT 0.02442 0.44101 2.46914
128 4AP3 NAP 0.0001189 0.43985 2.46914
129 4AP3 FAD 0.0001189 0.43985 2.46914
130 3MJE NDP 0.02001 0.41006 2.46914
131 1H2B NAJ 0.0004597 0.4731 2.50696
132 2ZXI FAD 0.0000002388 0.59306 2.51177
133 1KOL NAD 0.0007027 0.45778 2.51256
134 1EZ4 NAD 0.0001109 0.51943 2.51572
135 1GY8 NAD 0.008146 0.425 2.51889
136 1LDN NAD 0.0003616 0.48326 2.53165
137 1H82 FAD 0.000003628 0.49654 2.54237
138 1H82 GZZ 0.000007774 0.47464 2.54237
139 4KQW NAP 0.01008 0.41495 2.57143
140 3TWO NDP 0.003685 0.43091 2.58621
141 3QWI NAP 0.01134 0.41674 2.59259
142 2B4R NAD 0.0002764 0.48828 2.6087
143 2B4R AES 0.0008225 0.47072 2.6087
144 1VQW FAD 0.000005199 0.55456 2.62582
145 4MP8 NAD 0.005929 0.41857 2.65487
146 3V1Y NAD 0.0001551 0.51278 2.67062
147 1PS9 FAD 0.00000001333 0.62465 2.6749
148 3WE0 FAD 0.000002839 0.53041 2.6749
149 1NAA 6FA 0.00001055 0.5094 2.6749
150 1NAA ABL 0.00001554 0.48049 2.6749
151 1PS9 NAP 0.001393 0.4693 2.6749
152 1R37 NAD 0.001281 0.45201 2.6749
153 2AQJ TRP 0.0001867 0.43723 2.6749
154 1QMG APX 0.01032 0.43719 2.6749
155 2AQJ FAD 0.0001818 0.43583 2.6749
156 2GVC FAD 0.000001804 0.57379 2.68456
157 2GV8 FAD 0.00000236 0.56491 2.68456
158 2GV8 NDP 0.001441 0.47486 2.68456
159 2DBZ NAP 0.007883 0.43011 2.69461
160 1HDG NAD 0.000557 0.49081 2.71084
161 4IDC 1XX 0.01391 0.41101 2.71084
162 5THY SAH 0.03328 0.41744 2.71605
163 4WB7 ATP 0.01271 0.41076 2.71605
164 4E5N NAD 0.001845 0.4528 2.72727
165 1PCA CIT 0.03284 0.40046 2.72953
166 2GSD NAD 0.005709 0.42314 2.73632
167 2HJR APR 0.0003272 0.50893 2.7439
168 2Q2V NAD 0.007946 0.42125 2.7451
169 1U2Z SAH 0.048 0.40489 2.77136
170 1LUA NAP 0.002382 0.47435 2.78746
171 1NVT NAP 0.003948 0.45424 2.78746
172 3ORF NAD 0.01147 0.42286 2.78884
173 4DMG SAM 0.004039 0.48576 2.79898
174 4NBU NAI 0.01489 0.41367 2.8
175 2B5W NAP 0.004125 0.4289 2.80112
176 1PL6 NAD 0.0000846 0.54599 2.80899
177 1PL6 572 0.001135 0.45924 2.80899
178 3GEG NAD 0.02323 0.41124 2.83401
179 1J78 OLA 0.004153 0.50617 2.83843
180 2YG3 FAD 0.0000006342 0.56492 2.86976
181 1PN0 FAD 0.00000155 0.5278 2.88066
182 1PN0 IPH 0.000001928 0.52159 2.88066
183 4AT0 FAD 0.00005604 0.47299 2.88066
184 4WBD CIT 0.008344 0.45706 2.88066
185 4J36 FAD 0.0000007931 0.58872 2.89157
186 4J36 1HR 0.00001395 0.50493 2.89157
187 2B4Q NAP 0.00792 0.42774 2.89855
188 1V1A ADP 0.04401 0.41901 2.91262
189 1KYQ NAD 0.0001007 0.55711 2.91971
190 2O07 MTA 0.003086 0.45081 2.96053
191 2O07 SPD 0.004454 0.43868 2.96053
192 2QV7 ADP 0.03921 0.42456 2.96736
193 2RI1 GLP 0.03844 0.4427 2.97872
194 1DLJ NAI 0.002354 0.41262 2.98507
195 1SNY NAP 0.02331 0.41329 2.99625
196 1I0Z NAI 0.0008966 0.46908 3.003
197 3G2O SAM 0.00882 0.45245 3.01003
198 5GM1 SAH 0.04371 0.40688 3.0303
199 5GZ6 NDP 0.006716 0.45207 3.06748
200 5GZ6 7C3 0.01124 0.43541 3.06748
201 2PT9 S4M 0.002481 0.46075 3.11526
202 2PT9 2MH 0.008275 0.4185 3.11526
203 3C1O NAP 0.02265 0.41836 3.11526
204 1QD0 RR6 0.04183 0.43257 3.125
205 1F06 NDP 0.009924 0.42129 3.125
206 1KEV NDP 0.0008548 0.45927 3.1339
207 1A5Z NAD 0.000154 0.52877 3.1348
208 3B8I OXL 0.02245 0.40286 3.13589
209 2PHN GDP 0.03307 0.41278 3.14961
210 1U3G THF 0.04901 0.40666 3.1746
211 3GGO NAI 0.01164 0.40025 3.18471
212 1D1T NAD 0.0006963 0.46824 3.21716
213 2RGJ FAD 0.000000477 0.59797 3.23383
214 1W55 GPP 0.03104 0.40079 3.2345
215 1HYH NAD 0.0003095 0.48617 3.23625
216 2Y6Q FAD 0.000005062 0.55896 3.26633
217 2Y6Q I7T 0.00003944 0.48076 3.26633
218 1QAN SAH 0.021 0.42484 3.27869
219 4CQM NAP 0.01768 0.41243 3.27869
220 3ABI NAD 0.00103 0.46645 3.28767
221 3Q9T FAY 0.00001558 0.51787 3.29218
222 3LU1 NAD 0.004039 0.44053 3.2967
223 9LDB NAD 0.0002926 0.48722 3.31325
224 9LDT NAD 0.0003343 0.48473 3.31325
225 2VYN NAD 0.0001648 0.50453 3.32326
226 1GAD NAD 0.0003769 0.4952 3.33333
227 1K3T BRZ 0.007722 0.42177 3.34262
228 1LDM NAD 0.0009493 0.468 3.34347
229 4K28 NAD 0.0003035 0.50302 3.34572
230 4EUE NAI 0.01311 0.41406 3.34928
231 1Z3C SA8 0.02912 0.40286 3.3557
232 2CVQ NDP 0.003693 0.44473 3.36391
233 3EGI ADP 0.00184 0.52055 3.39806
234 3NYC IAR 0.00006949 0.46307 3.41207
235 3NYC FAD 0.00006949 0.46307 3.41207
236 4W6Z 8ID 0.003682 0.42884 3.45821
237 3ULK NDP 0.002962 0.46635 3.46232
238 2NU8 COA 0.0004432 0.49199 3.47222
239 2DKH FAD 0.0000004508 0.59899 3.49794
240 4IV9 FAD 0.0000006956 0.56338 3.49794
241 1YY5 FAD 0.000000316 0.56208 3.49794
242 1RSG FAD 0.0000006694 0.55695 3.49794
243 2DKH 3HB 0.000003363 0.54056 3.49794
244 2WET FAD 0.000008586 0.51861 3.49794
245 1X87 NAD 0.000628 0.49539 3.49794
246 4XYB NDP 0.006719 0.42225 3.49794
247 1UWK URO 0.003512 0.41301 3.49794
248 1GEG NAD 0.007005 0.43007 3.51562
249 1P1C SAH 0.0003832 0.50565 3.51759
250 3OZ2 FAD 0.0000002617 0.57961 3.52645
251 1ZH8 NAP 0.0127 0.42312 3.52941
252 4MO2 FDA 0.000001335 0.5634 3.53261
253 4MO2 FAD 0.000001564 0.557 3.53261
254 2I7C AAT 0.009642 0.41772 3.53357
255 1GUZ NAD 0.0003063 0.49262 3.54839
256 2G5C NAD 0.0005612 0.47796 3.55872
257 3VYW SAM 0.0008715 0.49594 3.57143
258 2V6G NAP 0.005174 0.43351 3.57143
259 2F1K NAP 0.0002571 0.50277 3.58423
260 3GF4 FAD 0.00003694 0.46585 3.58974
261 3GF4 UPG 0.00004533 0.45681 3.58974
262 2GCG NDP 0.01211 0.42181 3.63636
263 1RQ2 CIT 0.04263 0.40967 3.66492
264 1C3V NDP 0.004264 0.43713 3.67347
265 3DMH SAM 0.01197 0.43962 3.67454
266 3DMH GMP 0.01991 0.41428 3.67454
267 3V1U NAD 0.03191 0.40909 3.67965
268 1IM8 SAI 0.0186 0.43009 3.68852
269 1D4D FAD 0.0000006303 0.5545 3.7037
270 4Z24 FAD 0.0000008471 0.55314 3.7037
271 3K7M FAD 0.00001365 0.48237 3.7123
272 1FWV SGA MAG FUC 0.039 0.44855 3.73134
273 3T7S SAM 0.02799 0.42657 3.73134
274 1CDO NAD 0.002392 0.45859 3.74332
275 1ORR NAD 0.006167 0.42587 3.7464
276 3H9E NAD 0.0003749 0.4953 3.75723
277 1V8B NAD 0.0005059 0.46352 3.75783
278 2XNJ FAD 0.01988 0.42106 3.7594
279 3U31 NAD 0.003494 0.46286 3.7931
280 3C3Y SAH 0.009923 0.44667 3.79747
281 5MGZ SAH 0.04164 0.41501 3.81356
282 1TPY SAH 0.01045 0.43967 3.83275
283 1KPH SAH 0.01157 0.43751 3.83275
284 1KPG SAH 0.01261 0.43569 3.83275
285 2YY7 NAD 0.006588 0.42898 3.84615
286 3KO8 NAD 0.01156 0.41639 3.84615
287 1ELI PYC 0.0002367 0.47157 3.85604
288 4GLL NAD 0.01618 0.41015 3.85757
289 3UWB BB2 0.01491 0.43213 3.8961
290 4FZV SAM 0.006832 0.4517 3.89972
291 1REO FAD 0.000001848 0.55061 3.90947
292 1KNR FAD 0.000001796 0.54764 3.90947
293 5HSA FAS 0.00001568 0.50873 3.90947
294 4D04 NAP 0.00011 0.43739 3.90947
295 4D04 FAD 0.00011 0.43739 3.90947
296 1PZG A3D 0.004053 0.42515 3.92749
297 2I3G NAP 0.007935 0.42549 3.97727
298 3G89 SAM 0.002186 0.49592 4.01606
299 3AXB FAD 0.0000145 0.52228 4.01786
300 3AXB PRO 0.00004389 0.48919 4.01786
301 3FPF MTA 0.000887 0.44685 4.02685
302 3FPF TNA 0.000887 0.44685 4.02685
303 1F8F NAD 0.002518 0.46045 4.04313
304 5CAE COA 0.001552 0.47333 4.05063
305 5CAE SIN 0.006712 0.42433 4.05063
306 3FUU ADN 0.01399 0.43912 4.05904
307 2VDV SAM 0.02072 0.44282 4.06504
308 3GJ0 GDP 0.04329 0.43172 4.0724
309 3QJ4 FAD 0.000001062 0.56358 4.09357
310 1WDK NAD 0.0001831 0.52098 4.11523
311 2EB5 OXL 0.04773 0.40723 4.11985
312 1UAY ADN 0.004271 0.48014 4.13223
313 2R75 01G 0.02182 0.41248 4.14201
314 1CF2 NAP 0.0001026 0.52098 4.1543
315 4L8V NAP 0.00613 0.43261 4.1543
316 4GKV NAD 0.002174 0.44252 4.16667
317 2EV9 NAP 0.005185 0.43122 4.18251
318 2EV9 SKM 0.005185 0.43122 4.18251
319 2IVD FAD 0.000001559 0.56449 4.1841
320 2PXX SAH 0.0427 0.41444 4.18605
321 1EBF NAD 0.000318 0.50573 4.18994
322 3RYC GTP 0.01835 0.40973 4.1958
323 1ZGA SAH 0.0318 0.4326 4.20168
324 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.02567 0.43772 4.21053
325 1JAY NAP 0.02321 0.42271 4.24528
326 1XDS SAM 0.0156 0.44955 4.27807
327 3TLJ SAH 0.02918 0.41542 4.28954
328 4KRG SAH 0.02147 0.43553 4.29185
329 1WPQ NAD 0.04021 0.40865 4.29799
330 4TXI FAD 0.000001144 0.58636 4.32099
331 2BRY FAD 0.000001109 0.58263 4.32099
332 3R51 MMA 0.03062 0.43351 4.32099
333 1VI2 NAD 0.003539 0.4626 4.33333
334 4M37 SAH 0.001334 0.49056 4.37318
335 1G55 SAH 0.01433 0.43859 4.37318
336 1Q9I FAD 0.000004574 0.49088 4.37828
337 1R18 SAH 0.003471 0.463 4.40529
338 3A27 SAM 0.007523 0.456 4.41176
339 2EFJ SAH 0.00651 0.4627 4.42708
340 4DPL NAP 0.01218 0.41955 4.45682
341 4ZCC NAI 0.000002733 0.51085 4.46429
342 4ZCC FAD 0.000002733 0.51085 4.46429
343 3WMX NAD 0.005953 0.4405 4.46927
344 2JJQ SAH 0.01201 0.45574 4.47059
345 2B9W FAD 0.000006508 0.48828 4.48113
346 3AB4 THR 0.0457 0.43036 4.49438
347 1NPD NAD 0.003155 0.45883 4.51389
348 1QO8 FAD 0.0000002938 0.57029 4.52675
349 5J7X FAD 0.00000795 0.52933 4.52675
350 2FR1 NDP 0.01561 0.41082 4.52675
351 2DPM SAM 0.00964 0.44139 4.57746
352 1W6U NAP 0.018 0.4231 4.63576
353 2GEK GDP 0.04565 0.42707 4.6798
354 3Q3C NAD 0.00798 0.43983 4.68227
355 3Q87 SAM 0.01007 0.43771 4.70588
356 1O0S NAI 0.0005241 0.49915 4.73251
357 5JJR SAH 0.01899 0.43529 4.73251
358 3QXV MTX 0.04719 0.4174 4.7619
359 1E1M NAP 0.000008829 0.48866 4.78261
360 4XZ3 COA 0.00417 0.45607 4.78261
361 2FZW NAD 0.006965 0.40543 4.82574
362 5HJM MTA 0.01141 0.44359 4.82955
363 4QED NAP 0.02477 0.40597 4.83871
364 2D5A COA 0.01737 0.42631 4.86111
365 4EI7 GDP 0.008904 0.44027 4.88432
366 3WGT FAD 0.00006741 0.47017 4.89914
367 3WGT QSC 0.00007948 0.46542 4.89914
368 3ZNN 4WL 0.0002096 0.43741 4.89914
369 3D3W NAP 0.01489 0.40978 4.91803
370 2GMH FAD 0.0000001245 0.58802 4.93827
371 4PIV NDP 0.01412 0.41467 4.93827
372 2GMH UQ5 0.04437 0.4088 4.93827
373 1U7T NAD 0.0306 0.40579 4.98084
374 1F3L SAH 0.003253 0.46437 4.98442
375 1SAY PYR 0.001643 0.44754 4.98615
376 1XG5 NAP 0.01512 0.41338 5.01792
377 1UP7 NAD 0.003785 0.45224 5.03597
378 3MBG FAD 0.03297 0.40842 5.03597
379 3HDY FAD 0.00002691 0.458 5.03778
380 3HDY FDA 0.0000337 0.45499 5.03778
381 3HDY GDU 0.00003733 0.45172 5.03778
382 3L4S NAD 0.002051 0.44833 5.05952
383 3L4S 3PG 0.002558 0.44189 5.05952
384 1JQ3 AAT 0.001686 0.44948 5.06757
385 4NTC FAD 0.00000004161 0.60599 5.07463
386 1U4J MAN 0.008565 0.47163 5.08475
387 3KB6 NAD 0.003056 0.451 5.08982
388 3GWZ SAH 0.04054 0.42378 5.14905
389 3VPH NAD 0.0003208 0.47964 5.16129
390 3VPH OXM 0.000347 0.47273 5.16129
391 3B1F NAD 0.0002012 0.52313 5.17241
392 2O4C NAD 0.0009594 0.46503 5.26316
393 3LKZ SFG 0.01412 0.43892 5.29595
394 5JE8 NAD 0.000363 0.49942 5.29801
395 1W8D NAP 0.03199 0.41121 5.29801
396 4E13 NAD 0.0001159 0.53924 5.30035
397 2VHW NAI 0.0001243 0.48804 5.30504
398 3Q85 GNP 0.03905 0.43429 5.32544
399 1BW9 NAD 0.0004288 0.50716 5.33708
400 1BXG NAD 0.00059 0.48632 5.33708
401 1I9G SAM 0.001415 0.48554 5.35714
402 1Z82 NDP 0.008649 0.43065 5.37313
403 1X1T NAD 0.02529 0.40005 5.38462
404 1YKF NAP 0.001945 0.4544 5.39773
405 4JK3 NAD 0.0002624 0.50238 5.40541
406 4KOA NDP 0.002032 0.4891 5.40541
407 4J4H 1J1 0.00488 0.41114 5.40541
408 4J4H NAI 0.005361 0.40799 5.40541
409 5X62 SAH 0.00952 0.45406 5.41872
410 2WA2 SAM 0.0115 0.44977 5.43478
411 3QDC RET 0.03851 0.42802 5.43933
412 3H8V ATP 0.0003733 0.5228 5.47945
413 1NPL MAN 0.01663 0.46976 5.50459
414 3JV7 NAD 0.0002452 0.49365 5.50725
415 2JB2 FAD 0.000009259 0.52353 5.52147
416 2JB2 PHE 0.00001153 0.51677 5.52147
417 3LCC SAH 0.01823 0.43926 5.53191
418 3AD8 NAD 0.00000000308 0.68398 5.55556
419 5WGR FAD 0.00001249 0.51545 5.55556
420 2EJU SAH 0.001894 0.4867 5.55556
421 1LLU NAD 0.001739 0.44653 5.55556
422 3AD8 PYC 0.0004276 0.41486 5.55556
423 3AD8 FAD 0.0004276 0.41486 5.55556
424 1L1E SAH 0.01567 0.4338 5.57491
425 4XGX ADP 0.01719 0.43752 5.58824
426 5ULP KB1 0.02364 0.41748 5.59701
427 5I39 FAD 0.000006632 0.53241 5.63725
428 3OA2 NAD 0.002874 0.44956 5.66038
429 3Q9N COA 0.01553 0.41701 5.6962
430 4TSK NDP 0.00237 0.45877 5.71429
431 1CER NAD 0.0001551 0.51278 5.74018
432 4I67 G G G RPC 0.02546 0.44494 5.74713
433 1N4W FAD 0.00002197 0.49766 5.75397
434 1GPE FAD 0.000004745 0.51632 5.76132
435 2RGO FAD 0.00003694 0.50616 5.76132
436 3OND NAD 0.002659 0.41402 5.76132
437 4QTU SAM 0.03897 0.41648 5.76923
438 3OJO NAD 0.00002659 0.56102 5.80046
439 3NKS FAD 0.000002106 0.55554 5.87002
440 4CNK FAD 0.000001822 0.5544 5.88235
441 4TQG NDP 0.009808 0.42589 5.88235
442 4RDH AMP 0.0003304 0.53516 5.90278
443 4XDY NAI 0.0008739 0.47854 5.91716
444 1J5P NAD 0.0008825 0.47526 5.92885
445 2Q46 NAP 0.01646 0.41588 5.92885
446 1GTE FAD 0.000003596 0.48723 5.96708
447 3VC3 C6P 0.04003 0.40444 5.96708
448 1NV8 MEQ 0.004426 0.44377 5.98592
449 1NV8 SAM 0.005523 0.43697 5.98592
450 2R4J FAD 0.00007305 0.46022 5.98802
451 1IY8 NAD 0.01613 0.41217 5.99251
452 1JNR FAD 0.0000262 0.43856 6
453 4KRI SAH 0.02313 0.42535 6.00462
454 3BAZ NAP 0.002788 0.4584 6.00601
455 2A92 NAI 0.0007817 0.46611 6.23053
456 1L7E NAI 0.001342 0.47631 6.25
457 1L3I SAH 0.001912 0.46303 6.25
458 2HNK SAH 0.001716 0.48139 6.27615
459 2FK8 SAM 0.02139 0.42705 6.28931
460 2AMT GPP 0.03543 0.40695 6.28931
461 5DX8 SFG 0.002582 0.46603 6.30372
462 5DXA SFG 0.003342 0.46067 6.30372
463 1ZQ9 SAM 0.002635 0.47936 6.31579
464 4TM3 FAD 0.0009333 0.40213 6.32054
465 1U1I NAD 0.008059 0.41898 6.37755
466 3O55 FAD 0.02343 0.41539 6.4
467 2CFC NAD 0.02069 0.41143 6.4
468 5LD5 NAD 0.0004378 0.50288 6.42458
469 2BGM NAJ 0.01697 0.41964 6.47482
470 2X3N FAD 0.000001067 0.56726 6.51629
471 1P31 EPU 0.03139 0.42399 6.52632
472 1Q7B NAP 0.02249 0.40782 6.55738
473 2AHR NAP 0.01648 0.41176 6.56371
474 4BVA NDP 0.02019 0.40793 6.56716
475 2E5V FAD 0.000002979 0.52964 6.5678
476 1NW5 SAM 0.04363 0.41396 6.58307
477 3AYI FAD 0.000007037 0.49439 6.58436
478 3AYI HCI 0.00000829 0.48957 6.58436
479 2Q1W NAD 0.001051 0.46066 6.60661
480 5BR7 FAD 0.00003341 0.4551 6.61578
481 5BR7 FLC 0.00008787 0.44214 6.61578
482 3GDH SAH 0.004256 0.45271 6.639
483 2PV7 NAD 0.001335 0.46718 6.71141
484 2FDW D3G 0.03126 0.44359 6.72269
485 5FI3 NAP 0.02192 0.40832 6.72269
486 1X14 NAD 0.00002737 0.58659 6.73317
487 3WLE NAD 0.002045 0.43912 6.74487
488 1GV0 NAD 0.0003272 0.48819 6.77419
489 4BV6 FAD 0.00000003135 0.40425 6.79012
490 1YB5 NAP 0.01311 0.41021 6.83761
491 1GEE NAD 0.01872 0.41134 6.89655
492 3A4T SFG 0.003446 0.46316 6.93431
493 3OFK SAH 0.02003 0.42584 6.94444
494 1DRV A3D 0.02747 0.4191 6.95971
495 2VT3 ATP 0.00002882 0.60441 6.97674
496 1G6H ADP 0.04402 0.44038 7.00389
497 1I8T FAD 0.000003348 0.54063 7.08447
498 4WOP CTP 0.02936 0.42277 7.11111
499 2XVF FAD 0.000004026 0.54437 7.11207
500 2XVE FAD 0.0001319 0.43845 7.11207
501 5MZI FAD 0.00003348 0.45899 7.15835
502 5MZI FYK 0.00003907 0.45493 7.15835
503 2XWL CTP 0.01334 0.44638 7.17489
504 1LTH NAD 0.0001126 0.52694 7.21003
505 3FIU POP 0.02669 0.45374 7.22892
506 1M2K APR 0.01475 0.42019 7.22892
507 3A25 SAM 0.01439 0.44151 7.30897
508 1YKJ FAD 0.0001259 0.4356 7.36041
509 1YKJ PHB 0.0001259 0.4356 7.36041
510 1RP0 AHZ 0.000001735 0.57869 7.39437
511 1DJN ADP 0.00000002251 0.70785 7.40741
512 1O94 ADP 0.00000001935 0.70401 7.40741
513 4D79 ATP 0.0004777 0.51733 7.6087
514 3QVP FAD 0.000001941 0.5365 7.61317
515 2NAD NAD 0.00573 0.42307 7.63359
516 1N1G BCP 0.004772 0.42632 7.65027
517 2C29 NAP 0.02281 0.40954 7.71513
518 1NF8 BOG 0.01189 0.48205 7.72947
519 1WY7 SAH 0.007907 0.44559 7.72947
520 4B7X NAP 0.01649 0.40606 7.7381
521 3DXY SAM 0.003909 0.48655 7.79817
522 1WVG APR 0.01911 0.41953 7.79944
523 4FWE FAD 0.0000005246 0.55744 7.81893
524 3MB5 SAM 0.002945 0.46329 7.84314
525 1SC6 NAD 0.0008384 0.46482 7.92079
526 5EVY FAD 0.00007585 0.53927 7.99087
527 5ODQ FAD 0.0000003228 0.56877 8.02469
528 3X0D SAH 0.001281 0.49145 8.02469
529 4U8P FDA 0.0002266 0.42149 8.02469
530 4U8P UDP 0.0002923 0.41529 8.02469
531 1E3W NAD 0.01848 0.41158 8.04598
532 2DT5 NAD 0.0006303 0.47874 8.05687
533 1E6W NAD 0.02312 0.40729 8.07692
534 1DXY NAD 0.0003131 0.49887 8.10811
535 3O7W SAM 0.04568 0.42392 8.16327
536 3JWH SAH 0.01784 0.44996 8.29493
537 5TUK FAD 0.000004799 0.57699 8.33333
538 1VM6 NAD 0.009019 0.43473 8.33333
539 2BTO GTP 0.03873 0.40724 8.33333
540 3H2B SAH 0.01773 0.43392 8.37438
541 4XQC NAD 0.005536 0.40911 8.42105
542 4XQC 13D 0.005171 0.40856 8.42105
543 2P41 SAH 0.01467 0.44107 8.52459
544 3QV1 NAD 0.001523 0.46178 8.53659
545 1F8G NAD 0.0008534 0.49263 8.59375
546 3CIF NAD 0.0001489 0.50648 8.6351
547 3CIF G3H 0.004572 0.42708 8.6351
548 4YRY FAD 0.0000001177 0.58511 8.76068
549 4YRY NAD 0.000000484 0.5306 8.76068
550 5OCA 9QZ 0.02759 0.46453 8.82353
551 1NYT NAP 0.00934 0.43402 8.85609
552 1Q0S SAH 0.01176 0.43186 8.88031
553 3T31 FAD 0.000004438 0.49612 8.92449
554 3T31 DCQ 0.000006273 0.48646 8.92449
555 1JG3 ADN 0.000738 0.50766 8.93617
556 1XCL SAH 0.002169 0.4473 8.93617
557 3WXB NDP 0.007309 0.42703 8.96057
558 1A27 NAP 0.02689 0.4044 8.99654
559 2CUL FAD 0.000001651 0.56735 9.05172
560 3EVG SAH 0.01353 0.44289 9.09091
561 3GFB NAD 0.0003085 0.49577 9.14286
562 4YCA NDP 0.0003529 0.49651 9.18367
563 3BGD SAH 0.01852 0.42497 9.23077
564 3BGD PM6 0.01998 0.41421 9.23077
565 3OJF NDP 0.02019 0.40066 9.33852
566 1E6E FAD 0.0000005239 0.58353 9.375
567 4FN4 NAD 0.03273 0.40061 9.44882
568 2DFV NAD 0.0004164 0.48991 9.51009
569 4ONQ SFG 0.04381 0.41644 9.52381
570 4GUS FAD 0.0000006584 0.55046 9.67742
571 4GUT FAD 0.0000009443 0.53843 9.67742
572 4HSU FAD 0.000002064 0.53239 9.67742
573 1P0F NAP 0.004493 0.43386 9.91957
574 1HKU NAD 0.0004684 0.47842 10.0559
575 5EIB GTP 0.03528 0.40496 10.0592
576 4LNU GTP 0.04006 0.4024 10.0592
577 2GAG NAD 0.000000004 0.66356 10.101
578 2GAG FAD 0.00009851 0.46891 10.101
579 2GAG FOA 0.000138 0.46364 10.101
580 1JN2 SFP 0.01882 0.45839 10.1266
581 3RI1 3RH 0.01949 0.41913 10.2236
582 1Z45 NAD 0.009017 0.42527 10.2881
583 1ZEM NAD 0.008191 0.43415 10.3053
584 3U5S FAD 0.03105 0.41895 10.3175
585 1SOW NAD 0.0006601 0.46923 10.3659
586 2O66 FLC 0.04822 0.40266 10.3704
587 1VE3 SAM 0.04694 0.41233 10.5727
588 1BXK NAD 0.00211 0.45551 10.7042
589 5TUF FAD 0.000002278 0.57368 10.7579
590 5TUF TDC 0.0001087 0.44288 10.7579
591 3IHG FAD 0.000001262 0.59819 10.9053
592 2HK9 ATR 0.0005842 0.53775 10.9091
593 2HK9 NAP 0.003338 0.45198 10.9091
594 3CTY FAD 0.000000004654 0.62879 10.9718
595 1C1X NAD 0.000668 0.48387 10.9859
596 1DJL NAP 0.008168 0.42075 11.1111
597 3HVJ 705 0.00209 0.43658 11.3122
598 4C3Y FAD 0.00001826 0.50623 11.3169
599 4C3Y ANB 0.00004962 0.47722 11.3169
600 2OOR NAD 0.0009671 0.48999 11.4943
601 3EGV SAH 0.002557 0.48389 11.5646
602 1U25 IHS 0.04398 0.42882 11.5727
603 3A28 NAD 0.0246 0.4061 11.6279
604 4NTD FAD 0.00000004679 0.61673 11.7647
605 1DL7 NCH 0.04388 0.43873 11.9266
606 1UXG NAD 0.0002904 0.46809 11.9741
607 4YMH SAH 0.004093 0.45645 12.0833
608 1J49 NAD 0.0006563 0.47797 12.3123
609 1I1N SAH 0.007465 0.43354 12.3894
610 3AFN NAP 0.009747 0.41752 12.4031
611 4POO SAM 0.004382 0.45211 12.5
612 4OBW SAM 0.0412 0.41783 12.8405
613 3CBG SAH 0.002242 0.48687 12.931
614 4USQ FAD 0.000001014 0.58006 13.0194
615 1E3I CXF 0.00208 0.43882 13.0319
616 5FA8 SAM 0.02276 0.42065 13.0435
617 3GD4 FAD 0.000000454 0.52049 13.1687
618 3GD4 NAD 0.000001621 0.47192 13.1687
619 2HMT NAI 0.0000888 0.54038 13.1944
620 1P77 ATR 0.001464 0.52642 13.2353
621 1XPJ TLA 0.00922 0.4396 13.4921
622 5JWC FAD 0.0000000217 0.64399 13.9918
623 2ZFU SAH 0.01232 0.43899 14.4186
624 5MQ6 NDP 0.0003683 0.50647 14.8148
625 3O26 NDP 0.008256 0.42695 15.4341
626 1UKG MMA 0.005791 0.48782 15.4762
627 1Q8S MAN MMA 0.007317 0.48328 15.4762
628 1Q8Q MAN MMA 0.008151 0.48018 15.4762
629 2GN3 MMA 0.01577 0.45121 15.4762
630 2PHT MAN MAN MAN 0.03165 0.44809 15.4762
631 2GMP NAG MAN 0.02855 0.44741 15.4762
632 2PHX MAN MAN 0.03336 0.44542 15.4762
633 2GNB MAN 0.03354 0.43372 15.4762
634 5JCM NAD 0.000001577 0.41235 15.5211
635 5JCM ISD 0.000001575 0.41147 15.5211
636 5JCM FAD 0.000001355 0.41147 15.5211
637 1EJ0 SAM 0.002239 0.48299 15.5556
638 4JNA FAD 0.0000002246 0.57464 15.5882
639 1HYE NAP 0.01163 0.43471 15.655
640 4G74 FAD 0.00000003359 0.6315 15.7371
641 4G74 UQ5 0.0000006305 0.54154 15.7371
642 4II2 ATP 0.00027 0.52109 16.5644
643 3LXD FAD 0.00000001039 0.65702 16.6265
644 3GCZ SAM 0.007072 0.45737 16.6667
645 3CGB FAD 0.00000002669 0.63084 17.5
646 1EDO NAP 0.01936 0.40681 17.623
647 5VN0 FAD 0.00000002659 0.62635 18.107
648 5VN0 NAI 0.000007309 0.47982 18.107
649 3CGD NAD 0.0000002574 0.4875 18.125
650 3CGD FAD 0.0000002574 0.44465 18.125
651 3CGD COA 0.0000002574 0.44465 18.125
652 5KMS FAD 0.0000003597 0.5901 18.5185
653 5KMS NAD 0.00002248 0.46652 18.5185
654 1Q1R FAD 0.00000005023 0.61994 18.5615
655 1YQZ FAD 0.00000006821 0.54379 18.7215
656 3DCM SAM 0.01401 0.43909 18.75
657 2XYQ SAH 0.007537 0.45596 18.8525
658 1VDC FAD 0.0000005007 0.54506 18.9189
659 2DC1 NAD 0.0035 0.44836 19.0678
660 1LSS NAD 0.000006887 0.59981 19.2857
661 4EMI FAD 0.00000001919 0.6319 19.5122
662 4EMJ FAD 0.00000004562 0.61283 19.5122
663 4EMI NAD 0.0000004927 0.51415 19.5122
664 3FG2 FAD 0.00000001611 0.65954 19.5545
665 5JCA FAD 0.00000003194 0.40693 19.8312
666 5JCA NDP 0.000001729 0.40497 19.8312
667 2YVJ FAD 0.0000001124 0.60605 21.0784
668 2YVJ NAI 0.0000355 0.57509 21.0784
669 2YVF FAD 0.00000378 0.48656 21.0784
670 2YVF NAD 0.000004444 0.48214 21.0784
671 2V3A FAD 0.0000001016 0.60353 21.6146
672 2V3B FAD 0.0000001431 0.60189 21.6146
673 3KLJ FAD 0.000000008898 0.67032 21.8182
674 2CDU FAD 0.00000003758 0.62955 21.9027
675 2CDU ADP 0.000008578 0.61285 21.9027
676 3AB1 FAD 0.00000008729 0.59783 23.0556
677 2VOH CIT 0.01324 0.47303 23.0769
678 3ITJ FAD 0.0000002857 0.55042 23.3728
679 2IBZ UQ6 0.04023 0.41578 23.622
680 3LZW FAD 0.0000001428 0.59773 24.0964
681 3LZW NAP 0.000003135 0.49376 24.0964
682 5J60 FAD 0.00000001679 0.40688 24.6875
683 3F8D FAD 0.00002013 0.44689 25.6966
684 1XHC FAD 0.00000000411 0.66819 26.158
685 2Q0L FAD 0.00000003524 0.60872 26.6881
686 2Q0L NAP 0.001583 0.49902 26.6881
687 2Q7V FAD 0.0000000147 0.62305 27.3846
688 4UP3 FAD 0.00000001833 0.41011 27.3885
689 1FL2 FAD 0.000000007867 0.64237 27.7419
690 1TDF NAP 0.000003662 0.41011 28.1646
691 1TDF FAD 0.00000009518 0.40962 28.1646
692 3ICT ADP 0.000001165 0.6814 28.3951
693 3ICS ADP 0.000001394 0.67708 28.3951
694 3ICS FAD 0.000000009742 0.64343 28.3951
695 3ICT FAD 0.00000004637 0.62132 28.3951
696 3ICR FAD 0.00000001105 0.4042 28.3951
697 3NTA FAD 0.00000001196 0.63994 30.6584
698 3NT6 FAD 0.0000000138 0.63751 30.6584
699 3NTD FAD 0.00000001123 0.64101 31.2757
700 2NPX FAD 0.00000002741 0.63038 33.3333
701 2NPX NAD 0.000000957 0.51017 33.3333
702 4M38 SAH 0.002183 0.47622 38.0952
703 1MO9 KPC 0.00000000176 0.54024 41.358
704 1MO9 FAD 0.000000002755 0.5377 41.358
705 3RNM FAD 0.0000000000007565 0.77271 44.2387
706 1ZK7 FAD 0.000000000001378 0.75163 44.7537
707 2F5Z FAD 0.0000000000004963 0.77946 45.1477
708 1LVL FAD 0.000000000003423 0.74855 45.1965
709 1LVL NAD 0.00001965 0.57731 45.1965
710 2A8X FAD 0.00000000000128 0.76429 45.4741
711 4JDR FAD 0.0000000000009139 0.78187 45.5696
712 4M52 FAD 0.000000000001587 0.76677 45.7082
713 1V59 FAD 0.000000000001032 0.75615 46.2343
714 1V59 NAD 0.000003688 0.65374 46.2343
715 5U8U FAD 0.00000000005743 0.5056 46.5696
716 3QFA FAD 0.00000000000001465 0.84261 48.5597
717 4J56 FAD 0.00000000000006373 0.80594 49.5885
Pocket No.: 4; Query (leader) PDB : 1BZL; Ligand: GCG; Similar sites found: 24
This union binding pocket(no: 4) in the query (biounit: 1bzl.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01367 0.44538 None
2 4X8D AVI 0.04566 0.41619 0.894855
3 3O01 DXC 0.01175 0.4294 1.94805
4 4MRP GSH 0.01159 0.45652 2.05761
5 2HHP FLC 0.004341 0.43313 2.05761
6 4QGE 35O 0.00001378 0.51082 2.26337
7 1YYE 196 0.03694 0.41976 2.61194
8 1J78 OLA 0.01687 0.46572 2.83843
9 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01655 0.45441 2.92887
10 2QX0 PH2 0.04914 0.43074 3.77358
11 2BHW NEX 0.02217 0.45237 5.60345
12 4I67 G G G RPC 0.04829 0.41989 5.74713
13 2HPL ASP ASP LEU TYR GLY 0.01646 0.45567 6
14 4IA6 EIC 0.01509 0.45981 6.3786
15 4DN8 BMA 0.03085 0.40813 6.41026
16 1NRL SRL 0.03569 0.40916 6.64557
17 1NF8 BOG 0.001262 0.52684 7.72947
18 1FBY REA 0.02192 0.41184 8.78661
19 5OCA 9QZ 0.000474 0.56331 8.82353
20 2QA8 GEN 0.04697 0.41415 10.4651
21 1TV5 N8E 0.008754 0.48094 10.6095
22 2BJ4 OHT 0.04945 0.4021 10.7143
23 1HBK COA 0.03978 0.42307 17.9775
24 4M52 M52 0.04634 0.41152 45.7082
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