Receptor
PDB id Resolution Class Description Source Keywords
3SQP 2.21 Å EC: 1.8.1.7 STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED WITH PYOC AGENT WITH ANTIMALARIAL ACTIVITY HOMO SAPIENS CELLULAR REDUCTANTS GLUTATHIONE REDUCTASE PLASMODIUM FALCIPYOCYANIN ALTERNATIVE INITIATION FLAVOPROTEIN MITOCHONDROXIDOREDUCTASE PHOSPHOPROTEIN REDOX-ACTIVE CENTER TRANSIPEPTIDE OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: THE BACTERIAL REDOX SIGNALLER PYOCYANIN AS AN ANTIP AGENT: COMPARISONS WITH ITS THIOANALOG METHYLENE BL REDOX REP. V. 16 154 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3J8 A:900;
B:900;
Valid;
Valid;
none;
none;
ic50 = 7 uM
210.231 C13 H10 N2 O CN1c2...
FAD A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:2196;
B:2198;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:604;
A:605;
B:604;
B:605;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SQP 2.21 Å EC: 1.8.1.7 STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED WITH PYOC AGENT WITH ANTIMALARIAL ACTIVITY HOMO SAPIENS CELLULAR REDUCTANTS GLUTATHIONE REDUCTASE PLASMODIUM FALCIPYOCYANIN ALTERNATIVE INITIATION FLAVOPROTEIN MITOCHONDROXIDOREDUCTASE PHOSPHOPROTEIN REDOX-ACTIVE CENTER TRANSIPEPTIDE OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: THE BACTERIAL REDOX SIGNALLER PYOCYANIN AS AN ANTIP AGENT: COMPARISONS WITH ITS THIOANALOG METHYLENE BL REDOX REP. V. 16 154 2011
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3DJJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3GRS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1GRA - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 1GRE - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 1GRG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5GRT - TS4 C34 H66 N12 O10 S2 C(CCNCCCNC....
7 3DJG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 1GRF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3DK9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1XAN - HXP C16 H14 O5 c1cc2c(cc1....
11 3DK4 - GSH GSH n/a n/a
12 2GH5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1BWC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 3GRT - TS2 C27 H47 N9 O10 S2 C1CCNC(=O)....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3DJJ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3GRS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1GRA - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 1GRE - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 1GRG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5GRT - TS4 C34 H66 N12 O10 S2 C(CCNCCCNC....
7 3DJG - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 1GRF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3DK9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1XAN - HXP C16 H14 O5 c1cc2c(cc1....
11 3DK4 - GSH GSH n/a n/a
12 2GH5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1BWC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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 3GRT - TS2 C27 H47 N9 O10 S2 C1CCNC(=O)....
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: 3J8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3J8 1 1
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SQP; Ligand: 3J8; Similar sites found: 160
This union binding pocket(no: 1) in the query (biounit: 3sqp.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EW5 Y12 0.007737 0.43156 1.65746
2 5LGA 6VH 0.03405 0.41213 1.67364
3 5KOR GDP 0.02373 0.40946 1.67364
4 2WR1 NAG 0.003608 0.4726 1.88285
5 3HKW IX6 0.0164 0.40456 1.88285
6 1RX0 2MC 0.04445 0.40167 1.88285
7 2Q2Y ADP 0.04445 0.43251 1.90736
8 2Q2Y MKR 0.04445 0.43251 1.90736
9 3LLI FAD 0.01557 0.43024 1.91571
10 4P6X HCY 0.02286 0.42288 1.96078
11 1YQS BSA 0.01135 0.43812 2.00573
12 4DR9 BB2 0.01052 0.42039 2.08333
13 1UVC STE 0.03153 0.40774 2.1978
14 1S17 GNR 0.01421 0.41515 2.22222
15 4LY9 1YY 0.006002 0.46749 2.30126
16 4LY9 S6P 0.006044 0.46583 2.30126
17 3Q8G PEE 0.02683 0.43216 2.30126
18 3ET3 ET1 0.009855 0.42714 2.39726
19 1F0X FAD 0.03788 0.41315 2.51046
20 5B4B LP5 0.04476 0.40103 2.51046
21 2XXP DSL 0.01035 0.46967 2.51256
22 5CSD ACD 0.04313 0.40949 2.51572
23 3FUR Z12 0.02126 0.43345 2.57353
24 3G9E RO7 0.03763 0.41018 2.58303
25 1W2Y DUN 0.01364 0.41661 2.62009
26 3H0A D30 0.04455 0.40069 2.63158
27 2XFH CL6 0.02517 0.41273 2.6764
28 3Q2H QHF 0.02848 0.40059 2.6936
29 4ZL4 4PK 0.03491 0.40868 2.7027
30 3QKD HI0 0.009124 0.43427 2.76243
31 3G4G D71 0.01308 0.42117 2.85036
32 3VC1 SAH 0.04115 0.40063 2.88462
33 3KRO IPE 0.0447 0.40135 2.91971
34 3KRO DST 0.0447 0.40135 2.91971
35 3WUR O4B 0.003903 0.42507 2.92398
36 3WCA FPS 0.03276 0.40907 3.0137
37 5KAU RHQ 0.002197 0.462 3.0303
38 1IYK MYA 0.04976 0.40217 3.06122
39 2FV5 541 0.01431 0.43377 3.06513
40 1KPG 16A 0.007734 0.42879 3.13589
41 4ZBR NPS 0.00111 0.49632 3.13808
42 4ZBR DIF 0.001174 0.49632 3.13808
43 3ZCN ATP 0.02162 0.41008 3.1746
44 2C78 PUL 0.03301 0.42914 3.20988
45 4NU0 AP5 0.01814 0.43625 3.22581
46 4BNU 9KQ 0.01332 0.42083 3.34728
47 2X5W K2B 0.004332 0.45354 3.40909
48 5B0W 22B 0.03461 0.40985 3.43643
49 1UKZ AMP 0.0285 0.4016 3.44828
50 4ORM 2V6 0.04313 0.42834 3.49127
51 4ORM FMN 0.04313 0.42834 3.49127
52 4ORM ORO 0.04313 0.42834 3.49127
53 3G5D 1N1 0.03866 0.42322 3.4965
54 1RV1 IMZ 0.02253 0.40151 3.52941
55 1LOX RS7 0.02101 0.4048 3.55649
56 4YMU ARG 0.008285 0.4054 3.63636
57 4NKW PLO 0.02473 0.40404 3.76569
58 5K52 OCD 0.005538 0.4414 3.77358
59 1ZUA NAP 0.03712 0.42349 3.78549
60 1ZUA TOL 0.03712 0.42349 3.78549
61 4KWD JF2 0.03358 0.40647 3.82166
62 2J8C SPO 0.04916 0.42663 3.84615
63 2J8C U10 0.04916 0.42663 3.84615
64 3ANP DAO 0.02347 0.41029 3.92157
65 3GWT 066 0.01749 0.429 3.96601
66 2B96 ANN 0.01123 0.4293 4.06504
67 4CL6 7SB 0.03463 0.4029 4.09357
68 2YNC YNC 0.04896 0.40781 4.16667
69 3F3E LEU 0.01542 0.42871 4.1841
70 4O6W ACE PRO LEU 2SO SER TPO NH2 0.01961 0.40878 4.21941
71 1SR7 MOF 0.02104 0.42458 4.2471
72 4OAR 2S0 0.02935 0.40505 4.26357
73 5X80 SAL 0.003213 0.42924 4.375
74 5CHR 4NC 0.005139 0.42012 4.37956
75 4ARE FLC 0.006847 0.40846 4.39331
76 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 0.01473 0.43995 4.42478
77 4BKJ STI 0.01831 0.42554 4.44444
78 4RC8 STE 0.01538 0.4173 4.5045
79 4COL DTP 0.002514 0.4497 4.60251
80 5IR4 ZPE 0.01689 0.4371 4.60251
81 5F1R 42O 0.02124 0.42023 4.64135
82 4UCC ZKW 0.004248 0.42929 4.72103
83 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 0.03047 0.41216 5
84 1TIQ COA 0.01897 0.40602 5
85 3SVJ 4LI 0.02093 0.41222 5.02092
86 2O1V ADP 0.01516 0.40664 5.02092
87 4ZW9 BGC 0.02475 0.40296 5.02092
88 4ZW9 GLC 0.02475 0.40296 5.02092
89 3QUZ QUV 0.01557 0.44741 5.05051
90 5A8E XTK 0.01408 0.42176 5.39683
91 2ALG HP6 0.03215 0.4013 5.43478
92 2ALG DAO 0.03215 0.4013 5.43478
93 5ECP JAA 0.0253 0.42838 5.43933
94 5ECP ATP 0.02625 0.42838 5.43933
95 5ECP MET 0.0253 0.42838 5.43933
96 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 0.02908 0.41851 5.52764
97 5V4R MGT 0.008841 0.41194 5.55556
98 5MEX SZZ 0.0487 0.41004 5.59006
99 4RW3 TDA 0.01423 0.41218 5.62914
100 3ET1 ET1 0.006813 0.43348 5.84192
101 4QGE 35O 0.01863 0.40633 6.06695
102 3KDU NKS 0.01354 0.44119 6.13718
103 4MNS 2AX 0.04517 0.41767 6.28931
104 3NKS FAD 0.04642 0.40697 6.28931
105 3WH1 NAG NAG NAG NAG 0.0449 0.40072 6.31068
106 4WQ2 3SU 0.009208 0.4225 6.35838
107 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.04519 0.40633 6.38298
108 1U1B PAX 0.04242 0.40262 6.45161
109 2ZCQ B65 0.004929 0.47261 6.48464
110 3E3U NVC 0.01502 0.41069 6.59898
111 4ZOM 4Q3 0.03718 0.42933 6.66667
112 2XCG XCG 0.01427 0.43328 6.90377
113 4IBF 1D5 0.01222 0.41713 6.97674
114 4NB5 2JT 0.03112 0.40118 7.01754
115 5G3N X28 0.02136 0.41291 7.08661
116 2O5L MNR 0.01073 0.42021 7.18954
117 2RH1 CAU 0.007558 0.42994 7.2
118 2FP2 TSA 0.0178 0.41202 7.22892
119 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.01131 0.43 7.23684
120 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.04204 0.4183 7.53968
121 3W54 RNB 0.008909 0.42624 7.59878
122 4OGN 2U5 0.0261 0.40549 7.61905
123 1BWO LPC 0.02263 0.40788 7.77778
124 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.02152 0.44765 7.94979
125 3BJC WAN 0.009842 0.41131 7.94979
126 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.01416 0.44083 8.03571
127 4V3I ASP LEU THR ARG PRO 0.01124 0.40407 8.17121
128 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.04748 0.40249 8.30325
129 1ZOA 140 0.04593 0.40666 8.66808
130 5HIP 61O 0.006181 0.44062 8.91089
131 4UA3 COA 0.005306 0.44024 9.27835
132 2R40 EPH 0.03368 0.40661 9.77444
133 1XVB BHL 0.03853 0.40978 10
134 5V3Y 5V8 0.003353 0.43832 10.1399
135 5TCI 79V 0.0111 0.42658 10.1449
136 5G3Y ADP 0.01488 0.42003 10.177
137 3ZLR X0B 0.0377 0.41588 10.7595
138 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.0393 0.40376 10.8772
139 5BYZ 4WE 0.01453 0.4344 10.9195
140 1R5L VIV 0.003082 0.4577 11.0687
141 1LQY BB2 0.006158 0.43608 11.413
142 4GFD 0YB 0.02003 0.41882 11.7073
143 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.03982 0.41972 11.7409
144 5IF4 6AK 0.03368 0.40903 11.9497
145 1XMY ROL 0.006072 0.42552 12.0603
146 1XMU ROF 0.008441 0.42451 12.0603
147 1XM4 PIL 0.008187 0.42396 12.0603
148 1GEG GLC 0.003044 0.45857 12.1094
149 5MWE TCE 0.0135 0.40351 12.3457
150 1GHE ACO 0.02974 0.40368 12.9944
151 5MES 7LT 0.009808 0.4181 14.1975
152 1ZIN AP5 0.03349 0.42109 14.2857
153 1JF0 CZH 0.02146 0.41558 14.359
154 2CDN ADP 0.01659 0.4173 14.4279
155 5FH7 5XL 0.01188 0.41205 14.5161
156 5LJ0 6XX 0.0106 0.42585 15.3846
157 4MKF AP5 0.02507 0.42959 16.129
158 5L2J 70E 0.0239 0.44619 18.3333
159 2DYR PGV 0.0178 0.43348 28.8136
160 2A06 SMA 0.006252 0.45711 33.3333
Pocket No.: 2; Query (leader) PDB : 3SQP; Ligand: 3J8; 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: 3sqp.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SQP; Ligand: FAD; 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: 3sqp.bio1) has 136 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3SQP; Ligand: FAD; Similar sites found: 630
This union binding pocket(no: 4) in the query (biounit: 3sqp.bio1) has 137 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2R4J FAD 0.000006323 0.52146 1.04603
2 4R5M NAP 0.04791 0.41062 1.06383
3 2FR1 NDP 0.0225 0.42046 1.25523
4 2D2I NAP 0.00146 0.49407 1.31579
5 1YS4 NAP 0.0109 0.45604 1.41243
6 4BJZ P3A 0.0001144 0.44775 1.41509
7 3X0D SAH 0.0007113 0.52458 1.46444
8 1D8C GLV 0.01613 0.48687 1.46444
9 4XQC NAD 0.008094 0.4206 1.46444
10 4XQC 13D 0.007448 0.42045 1.46444
11 3B20 NAD 0.002213 0.48511 1.47493
12 3B1J NAD 0.002444 0.46899 1.47493
13 1DLJ NAI 0.008002 0.41191 1.49254
14 2A92 NAI 0.004632 0.4515 1.55763
15 5JE8 NAD 0.003206 0.4742 1.65563
16 3A25 SAM 0.007966 0.47232 1.66113
17 1YY5 FAD 0.0000001709 0.60131 1.67364
18 1RSG FAD 0.0000003429 0.59652 1.67364
19 1X87 NAD 0.0003954 0.52593 1.67364
20 1ZGA SAH 0.04893 0.43784 1.68067
21 2CVZ NDP 0.02199 0.43094 1.7301
22 4BLW SAH 0.04794 0.41436 1.7301
23 4BLW AMP 0.03317 0.40939 1.7301
24 4RDH AMP 0.0002692 0.56124 1.73611
25 4R1S NAP 0.04736 0.41462 1.78042
26 1XG5 NAP 0.02972 0.41675 1.79211
27 3DUW SAH 0.001234 0.51195 1.79372
28 2DBZ NAP 0.03597 0.41658 1.79641
29 4D79 ATP 0.0001021 0.57404 1.81159
30 1LJ8 NAD 0.03206 0.43184 1.88285
31 1M2W NAD 0.03871 0.42529 1.88285
32 1P3D UMA 0.02843 0.42763 1.89474
33 3L9W AMP 0.00002943 0.55393 1.93705
34 3L9W GSH 0.00006108 0.54662 1.93705
35 1PL6 NAD 0.0008959 0.51538 1.96629
36 1PL6 572 0.007018 0.44337 1.96629
37 1BXK NAD 0.01004 0.44279 1.97183
38 4KQW NAP 0.01564 0.42388 2
39 3TKA SAM 0.02406 0.44087 2.01729
40 4RSL FAD 0.00004578 0.52879 2.02247
41 2EFJ SAH 0.02494 0.44842 2.08333
42 2WET FAD 0.000003069 0.56178 2.09205
43 4AZT SAM 0.02047 0.45016 2.09205
44 1VKO NAD 0.02116 0.42167 2.09205
45 1NJR XYL 0.01744 0.43362 2.11268
46 4E5N NAD 0.004606 0.4539 2.12121
47 2B9W FAD 0.000009017 0.50879 2.12264
48 1SOW NAD 0.003239 0.4585 2.13415
49 1MXH NAP 0.01766 0.41474 2.17391
50 1MXH DHF 0.01815 0.41424 2.17391
51 2PK3 A2R 0.03828 0.43273 2.18069
52 4K28 NAD 0.001013 0.49867 2.23048
53 2FCU AKG 0.03373 0.46161 2.23642
54 5ULP KB1 0.03717 0.42398 2.23881
55 2I3G NAP 0.00883 0.44098 2.27273
56 4AT0 FAD 0.00001385 0.51898 2.30126
57 3UCL CYH 0.00001109 0.48868 2.30126
58 3UCL NAP 0.00001128 0.48263 2.30126
59 3ETG GTP 0.01105 0.41374 2.30126
60 1Q0S SAH 0.01986 0.43767 2.3166
61 4R6W SAH 0.03902 0.40954 2.32558
62 3G2O SAM 0.006413 0.4774 2.34114
63 2PV7 NAD 0.004914 0.45986 2.34899
64 1XTP SAI 0.01247 0.46182 2.3622
65 4GLL NAD 0.04612 0.40621 2.37389
66 3S5W FAD 0.000004904 0.58939 2.37581
67 3S5W NAP 0.0001712 0.57219 2.37581
68 2GND MAN 0.009422 0.49567 2.38095
69 2PHU MAN MAN 0.01121 0.49319 2.38095
70 1Q8P MAN MMA 0.01575 0.4822 2.38095
71 2PHF MAN MAN 0.01682 0.48043 2.38095
72 2PHW MAN MAN 0.01749 0.47938 2.38095
73 2PHR MAN MAN 0.01812 0.47842 2.38095
74 2GND MAN MMA 0.01818 0.47833 2.38095
75 2PHR MAN MAN BMA MAN 0.01972 0.47187 2.38095
76 2PHF MAN MAN BMA MAN 0.02123 0.46991 2.38095
77 2GN3 MAN 0.03927 0.4253 2.38095
78 1DXY NAD 0.0008452 0.49929 2.4024
79 1P0F NAP 0.01258 0.43192 2.41287
80 2EG5 SAH 0.01753 0.4635 2.41935
81 2JAP NDP 0.04855 0.40685 2.42915
82 2CVQ NDP 0.02366 0.42522 2.44648
83 1GR0 NAD 0.02188 0.41742 2.45232
84 3H2B SAH 0.01548 0.45376 2.46305
85 3GDH SAH 0.006771 0.46098 2.48963
86 1F06 NDP 0.01001 0.43242 2.5
87 1H2B NAJ 0.004987 0.44787 2.50696
88 4DPL NAP 0.02288 0.42392 2.50696
89 1Q9I FAD 0.0000008912 0.54142 2.51046
90 2IZ1 ATR 0.00274 0.53083 2.51046
91 2B5W NAP 0.02481 0.41332 2.51046
92 2X6T NAP 0.007217 0.44722 2.52101
93 2DC1 NAD 0.01196 0.44146 2.54237
94 5GUD NDP 0.03284 0.4019 2.54777
95 3OJO NAD 0.00008151 0.56045 2.5522
96 1SB8 NAD 0.009844 0.41134 2.55682
97 4KRG SAH 0.01568 0.46282 2.57511
98 4W6Z 8ID 0.009252 0.43013 2.59366
99 3JV7 NAD 0.005333 0.45331 2.6087
100 4XNV BUR 0.04732 0.45056 2.61283
101 1G55 SAH 0.039 0.43229 2.62391
102 2EJU SAH 0.00985 0.46735 2.6455
103 3V1Y NAD 0.0005624 0.50781 2.67062
104 3FPF TNA 0.003139 0.44423 2.68456
105 3FPF MTA 0.003139 0.44423 2.68456
106 1TB4 PEJ 0.03429 0.41569 2.69542
107 1RP0 AHZ 0.0000003312 0.63797 2.71967
108 5BVA FAD 0.00000008276 0.61358 2.71967
109 1KYQ NAD 0.0000659 0.58962 2.71967
110 2RGO FAD 0.000005164 0.56581 2.71967
111 3QVP FAD 0.000002734 0.55745 2.71967
112 4MIG G3F 0.00001079 0.5205 2.71967
113 3ULK NDP 0.01128 0.45527 2.71967
114 3Q3C NAD 0.01132 0.44986 2.71967
115 5DX8 SFG 0.01367 0.44833 2.71967
116 5DXA SFG 0.01509 0.44614 2.71967
117 2GSD NAD 0.04265 0.40296 2.73632
118 1MUU NAD 0.0004326 0.51672 2.75229
119 1MV8 NAD 0.0004138 0.51423 2.75229
120 3B1F NAD 0.000397 0.52971 2.75862
121 1GY8 NAD 0.007479 0.44428 2.77078
122 4DMG SAM 0.01005 0.48117 2.79898
123 2NAD NAD 0.04011 0.40414 2.79898
124 1A5Z NAD 0.000301 0.53586 2.82132
125 4E13 NAD 0.0004866 0.52915 2.82686
126 2G5C NAD 0.002415 0.46923 2.84698
127 1KEV NDP 0.004451 0.4479 2.849
128 1X7D NAD 0.003996 0.46158 2.85714
129 1X7D ORN 0.01295 0.42211 2.85714
130 1EDO NAP 0.01467 0.42889 2.86885
131 1ORR NAD 0.01418 0.42763 2.88184
132 3NYC FAD 0.00003858 0.49527 2.88714
133 3NYC IAR 0.00003858 0.49527 2.88714
134 3H9E NAD 0.001162 0.49263 2.89017
135 1EQ2 NAP 0.005351 0.45324 2.90323
136 3EGI ADP 0.001578 0.54389 2.91262
137 3A06 NDP 0.02732 0.41315 2.92553
138 3A06 FOM 0.0317 0.40706 2.92553
139 2RGH FAD 0.000005205 0.5557 2.92887
140 5HSA FAS 0.0000229 0.5266 2.92887
141 2Q28 ADP 0.02755 0.4404 2.92887
142 3U31 NAD 0.02587 0.43668 2.92887
143 3WMX NAD 0.02083 0.43207 2.92887
144 4L8V NAP 0.0148 0.43274 2.96736
145 3L4S 3PG 0.006918 0.44154 2.97619
146 3L4S NAD 0.009755 0.43691 2.97619
147 4BVA NDP 0.04201 0.40978 2.98507
148 2VYN NAD 0.0004377 0.50658 3.02115
149 3LU1 NAD 0.007961 0.44524 3.02198
150 1GAD NAD 0.002688 0.47508 3.0303
151 1SQF SAM 0.01901 0.45191 3.0303
152 1B8U NAD 0.01968 0.44545 3.03951
153 1YKJ FAD 0.000169 0.45356 3.04569
154 1YKJ PHB 0.000169 0.45356 3.04569
155 1VQW FAD 0.000001863 0.60007 3.06346
156 5GZ6 NDP 0.007541 0.46724 3.06748
157 5GZ6 7C3 0.007557 0.46135 3.06748
158 2PWY SAH 0.0009713 0.50627 3.10078
159 3SSO SAH 0.0003553 0.53625 3.10263
160 1WP4 NDP 0.01734 0.43374 3.11419
161 1UP7 NAD 0.01372 0.44325 3.11751
162 3AXB FAD 0.000004604 0.56792 3.125
163 3AXB PRO 0.00001183 0.53524 3.125
164 2GVC FAD 0.00000053 0.6243 3.13199
165 2GV8 FAD 0.0000006443 0.61622 3.13199
166 2GV8 NDP 0.002509 0.4824 3.13199
167 5WGR FAD 0.000008927 0.54615 3.13808
168 1H82 FAD 0.000002858 0.52629 3.13808
169 1H82 GZZ 0.000005624 0.50462 3.13808
170 4TSK NDP 0.008043 0.45211 3.14286
171 3OA2 NAD 0.02003 0.42864 3.14465
172 3DMH SAM 0.02438 0.44057 3.14961
173 3DMH GMP 0.03599 0.41849 3.14961
174 2IXB NAD 0.008758 0.44114 3.15315
175 2IXB A2G 0.02305 0.40987 3.15315
176 2E5V FAD 0.000003845 0.55162 3.17797
177 3ORF NAD 0.008251 0.4468 3.18725
178 5X62 SAH 0.004447 0.48959 3.20197
179 2RGJ FAD 0.000000519 0.62471 3.23383
180 1N1G BCP 0.02654 0.41203 3.27869
181 4MDH NAD 0.02779 0.42391 3.29341
182 2Q1W NAD 0.001648 0.47172 3.3033
183 5MDH NAD 0.03148 0.4213 3.3033
184 1P77 ATR 0.0007653 0.56325 3.30882
185 1PN0 FAD 0.00000183 0.55214 3.34728
186 1PN0 IPH 0.000002137 0.54675 3.34728
187 3Q9T FAY 0.00001696 0.54085 3.34728
188 4MOP 2H5 0.00002106 0.50256 3.34728
189 4M37 SAH 0.00197 0.50121 3.34728
190 4M38 SAH 0.003026 0.48789 3.34728
191 2HNK SAH 0.003865 0.48236 3.34728
192 4XDY NAI 0.002979 0.47293 3.34728
193 1GV0 NAD 0.00259 0.46782 3.34728
194 1HKU NAD 0.001796 0.47256 3.35196
195 5DM1 SAH 0.0217 0.41098 3.37079
196 5DM1 5D7 0.02538 0.40659 3.37079
197 4QOS ADP 0.03752 0.44452 3.39623
198 1YKF NAP 0.003576 0.46134 3.40909
199 4JK3 NAD 0.0009221 0.49747 3.4749
200 4J4H 1J1 0.00504 0.42873 3.4749
201 4J4H NAI 0.009046 0.41417 3.4749
202 1E1M NAP 0.00000001859 0.60964 3.47826
203 3GGO NAI 0.02419 0.40452 3.50318
204 2X3N FAD 0.000001736 0.58581 3.50877
205 1VM6 NAD 0.0227 0.43247 3.50877
206 2YY7 NAD 0.0182 0.42658 3.52564
207 4MP8 NAD 0.01307 0.42194 3.53982
208 4TXI FAD 0.0000005612 0.62767 3.55649
209 1REO FAD 0.0000007012 0.59485 3.55649
210 4Z24 FAD 0.000003673 0.55548 3.55649
211 1GPE FAD 0.000005355 0.54013 3.55649
212 1WDK NAD 0.0005759 0.51771 3.55649
213 1VJT NAD 0.00718 0.47148 3.55649
214 2DPM SAM 0.005638 0.47074 3.55649
215 2NXE SAM 0.03098 0.44037 3.55649
216 3OND NAD 0.008293 0.41416 3.55649
217 1UXG NAD 0.001881 0.45548 3.55987
218 2YX1 SFG 0.009578 0.47849 3.57143
219 2F1K NAP 0.00046 0.51202 3.58423
220 3G5S FAD 0.0000002445 0.62176 3.61174
221 1V6A TRE 0.0137 0.48668 3.61446
222 1HDG NAD 0.003017 0.47549 3.61446
223 2O07 MTA 0.002288 0.47564 3.61842
224 2O07 SPD 0.003424 0.46221 3.61842
225 3GEG NAD 0.01334 0.43919 3.64372
226 1VI2 NAD 0.005577 0.47098 3.66667
227 1D4D FAD 0.0000001351 0.60891 3.67133
228 1IM8 SAI 0.0157 0.4506 3.68852
229 3FUU ADN 0.002453 0.49617 3.69004
230 4X60 SFG 0.01248 0.41941 3.71429
231 4X60 3XV 0.01296 0.41712 3.71429
232 2VT3 ATP 0.0001849 0.58158 3.72093
233 1E3I CXF 0.01748 0.41824 3.7234
234 4DCM SAM 0.01878 0.45842 3.73333
235 1D1T NAD 0.007074 0.44321 3.75335
236 3IHG FAD 0.0000005171 0.64362 3.76569
237 4USQ FAD 0.0000005268 0.62006 3.76569
238 4FWE FAD 0.0000002235 0.6003 3.76569
239 5TS5 FAD 0.0000004324 0.59609 3.76569
240 4IV9 FAD 0.0000008226 0.58836 3.76569
241 1UWK URO 0.004132 0.4288 3.76569
242 1JAY NAP 0.03528 0.42968 3.77358
243 4GQB 0XU 0.01413 0.44506 3.77907
244 1DL5 SAH 0.007225 0.45436 3.78549
245 2DT5 NAD 0.001137 0.48716 3.79147
246 1NPD NAD 0.006904 0.46056 3.81944
247 3GU3 SAH 0.01666 0.47223 3.87324
248 3CBG SAH 0.001077 0.52329 3.87931
249 4OBW SAM 0.03154 0.43995 3.89105
250 1I9G SAM 0.0004724 0.52982 3.92857
251 2IVD FAD 0.0000002286 0.6272 3.9749
252 2JB2 FAD 0.00000216 0.57469 3.9749
253 2JB2 PHE 0.000002816 0.56657 3.9749
254 3WE0 FAD 0.000001745 0.56514 3.9749
255 1KNR FAD 0.000003065 0.56507 3.9749
256 4C4A SAH 0.0008392 0.52078 3.9749
257 3MJE NDP 0.03702 0.41413 3.9749
258 3SJU NDP 0.04482 0.40847 3.9749
259 4RQU NAD 0.004183 0.46065 4
260 1CDO NAD 0.01886 0.43418 4.01069
261 2XVM SAH 0.04933 0.43763 4.0201
262 4TQG NDP 0.02983 0.42044 4.02477
263 1F8F NAD 0.04823 0.4162 4.04313
264 4XYB NDP 0.03285 0.40958 4.09207
265 5MQ6 NDP 0.002524 0.48538 4.12214
266 5CAE COA 0.006146 0.46307 4.15335
267 5CAE SIN 0.03537 0.4098 4.15335
268 1L3I SAH 0.002636 0.47549 4.16667
269 4GKV NAD 0.01069 0.43116 4.16667
270 5JCJ NAP 0.03736 0.41579 4.16667
271 3BMO NAP 0.03782 0.41554 4.16667
272 4CMI NAP 0.03983 0.41446 4.16667
273 3BMQ NAP 0.03656 0.41438 4.16667
274 3JQA NAP 0.04507 0.41375 4.16667
275 3JQF NAP 0.03823 0.41347 4.16667
276 5JDC NAP 0.0422 0.41326 4.16667
277 3BMN NAP 0.03923 0.41294 4.16667
278 3JQB NAP 0.04693 0.4129 4.16667
279 4CM8 NAP 0.043 0.41287 4.16667
280 3JQ8 NAP 0.0415 0.41179 4.16667
281 4CLO NAP 0.04961 0.41173 4.16667
282 4CM4 NAP 0.04838 0.41042 4.16667
283 1DJN ADP 0.000000003809 0.77844 4.1841
284 3V1U NAD 0.02572 0.42979 4.1841
285 4OPC PGT 0.00005739 0.41874 4.1841
286 2BGM NAJ 0.03925 0.41863 4.1841
287 3F3E LEU 0.02513 0.40984 4.1841
288 1I0Z NAI 0.0035 0.46177 4.2042
289 3QOX SAH 0.04773 0.42061 4.22535
290 1JG3 ADN 0.001114 0.51829 4.25532
291 4HXY NDP 0.008059 0.44279 4.3379
292 3GF4 FAD 0.00001981 0.499 4.35897
293 3GF4 UPG 0.00001295 0.49886 4.35897
294 1O94 ADP 0.000000002217 0.78257 4.375
295 1QO8 FAD 0.0000001221 0.6144 4.39331
296 3E1T FAD 0.0000001329 0.60919 4.39331
297 2YG3 FAD 0.0000003452 0.60374 4.39331
298 2Z3Y F2N 0.0000004901 0.58687 4.39331
299 4C3Y FAD 0.00002515 0.52496 4.39331
300 4C3Y ANB 0.00004974 0.5004 4.39331
301 4ZRN NAD 0.01037 0.43175 4.39331
302 1ZBQ NAD 0.03107 0.41407 4.39331
303 4ZRN UPG 0.01429 0.40386 4.39331
304 3WLE NAD 0.009787 0.42909 4.39883
305 5I39 FAD 0.000004521 0.56481 4.41176
306 5LD5 NAD 0.002941 0.48204 4.46927
307 2WD7 NAP 0.03925 0.41477 4.47761
308 2XWL CTP 0.0481 0.43255 4.4843
309 5TTJ FAD 0.0000007841 0.59285 4.4898
310 1KOL NAD 0.007459 0.43415 4.52261
311 1LDM NAD 0.003806 0.46008 4.55927
312 3T31 FAD 0.000003957 0.52379 4.57666
313 3T31 DCQ 0.000005538 0.51386 4.57666
314 3WBF NAP 0.007577 0.44853 4.59016
315 3WBF API 0.01268 0.4298 4.59016
316 3K7M FAD 0.000003562 0.52792 4.60251
317 1Z45 NAD 0.016 0.43116 4.60251
318 3GDN FAD 0.00001129 0.53605 4.60653
319 3GDN HBX 0.00003538 0.49664 4.60653
320 3WGT FAD 0.00004145 0.50103 4.61095
321 3WGT QSC 0.00003912 0.49962 4.61095
322 5TUF FAD 0.000004038 0.58914 4.64548
323 5TUF TDC 0.0001292 0.46269 4.64548
324 1XCL SAH 0.002133 0.46668 4.68085
325 5EVY FAD 0.00002552 0.58585 4.79452
326 2VVM FAD 0.000000677 0.59181 4.81172
327 2VVL FAD 0.0000009351 0.58258 4.81172
328 2AG8 NAP 0.0001692 0.55298 4.81172
329 3GMB FAD 0.000002383 0.59133 4.81928
330 3TLJ SAH 0.03322 0.42869 4.82574
331 2PZM NAD 0.007675 0.42151 4.84848
332 2HMT NAI 0.00002535 0.5908 4.86111
333 2D5A COA 0.02117 0.43868 4.86111
334 1I1N SAH 0.01957 0.43123 4.86726
335 3ZNN 4WL 0.00004282 0.483 4.89914
336 1ZQ9 SAM 0.0008153 0.52558 4.91228
337 1Z3C SA8 0.01725 0.42964 5.03356
338 5JY6 NAD 0.00944 0.40925 5.05618
339 4ZCC NAI 0.000005037 0.52758 5.05952
340 4ZCC FAD 0.000005037 0.52758 5.05952
341 1JQ3 AAT 0.005056 0.4476 5.06757
342 1U1I NAD 0.02628 0.41389 5.10204
343 1JA9 NDP 0.04343 0.40741 5.10949
344 4CNK FAD 0.000001186 0.58907 5.11509
345 1Y8Q ATP 0.00003234 0.57612 5.20231
346 3ABI NAD 0.003211 0.4635 5.20548
347 2B4R NAD 0.0009951 0.48425 5.21739
348 2B4R AES 0.002183 0.47125 5.21739
349 2VDV SAM 0.007716 0.48383 5.28455
350 1R18 SAH 0.003575 0.48088 5.28634
351 3HDY FDA 0.00002299 0.48419 5.28967
352 3HDY FAD 0.00002453 0.48325 5.28967
353 3HDY GDU 0.00002659 0.48014 5.28967
354 4JNA FAD 0.0000004942 0.59019 5.29412
355 2PT9 S4M 0.003415 0.47286 5.29595
356 2PT9 2MH 0.009667 0.43309 5.29595
357 1WY7 SAH 0.03256 0.4315 5.31401
358 1COY FAD 0.00004292 0.51561 5.32544
359 1COY AND 0.000501 0.44589 5.32544
360 1ZEM NAD 0.007503 0.45357 5.34351
361 1RPN NDP 0.04267 0.40776 5.37313
362 3KB6 NAD 0.02427 0.42674 5.38922
363 5HJM MTA 0.01541 0.45386 5.39773
364 3BAZ NAP 0.01836 0.43702 5.40541
365 9LDT NAD 0.00134 0.47836 5.42169
366 9LDB NAD 0.001369 0.47794 5.42169
367 2GLX NDP 0.03427 0.42576 5.42169
368 2GMH FAD 0.0000006148 0.58992 5.43933
369 1R37 NAD 0.009929 0.43258 5.43933
370 1E6E FAD 0.000000388 0.61738 5.46875
371 2V6G NAP 0.005685 0.44972 5.49451
372 3VYW SAM 0.0007965 0.51803 5.51948
373 2Y6Q FAD 0.000002769 0.5965 5.52764
374 1P1C SAH 0.0001119 0.55353 5.52764
375 2Y6Q I7T 0.00003447 0.50648 5.52764
376 3JWH SAH 0.02866 0.45462 5.52995
377 2Q46 NAP 0.02086 0.42781 5.5336
378 4J36 FAD 0.000002257 0.59637 5.54217
379 4J36 1HR 0.00002302 0.52099 5.54217
380 5FA8 SAM 0.03348 0.42852 5.59006
381 2EWM NAD 0.04931 0.40653 5.62249
382 4GUS FAD 0.0000002696 0.59359 5.64516
383 4GUT FAD 0.000000377 0.58125 5.64516
384 2JJQ SAH 0.02092 0.45911 5.64706
385 1PS9 FAD 0.00000001441 0.65562 5.64854
386 3AYI FAD 0.000001058 0.54955 5.64854
387 3AYI HCI 0.000001276 0.54388 5.64854
388 1NAA 6FA 0.0000165 0.52669 5.64854
389 1NAA ABL 0.00004973 0.48692 5.64854
390 1PS9 NAP 0.002333 0.47805 5.64854
391 3PT9 SAH 0.01316 0.46055 5.64854
392 1J49 NAD 0.002233 0.47343 5.70571
393 4MO2 FDA 0.000001004 0.59585 5.70652
394 4MO2 FAD 0.000001118 0.59014 5.70652
395 1C3V NDP 0.009413 0.43971 5.71429
396 1I8T FAD 0.000002325 0.57337 5.72207
397 2ZIF SAM 0.008663 0.46715 5.72391
398 2DFV NAD 0.002073 0.47768 5.76369
399 1DJL NAP 0.01155 0.43161 5.7971
400 1F74 NAY 0.03094 0.44621 5.80205
401 3A4T SFG 0.003814 0.47944 5.83942
402 1N4W FAD 0.00003293 0.51487 5.85774
403 3UOY FAD 0.000004817 0.49632 5.85774
404 3UOY NAP 0.000004817 0.49632 5.85774
405 4QTU SAM 0.01857 0.44955 5.92593
406 4KOA NDP 0.004659 0.48849 6.00601
407 2I7C AAT 0.01144 0.4318 6.00707
408 2PXX SAH 0.04643 0.42821 6.04651
409 1GTE FAD 0.00000006753 0.57159 6.04878
410 2A9W GA9 0.04251 0.45529 6.06061
411 1O0S NAI 0.003869 0.47603 6.06695
412 4TM3 FAD 0.000002843 0.50153 6.09481
413 2HJR APR 0.0006111 0.51641 6.09756
414 3EGV SAH 0.007901 0.47591 6.12245
415 1K3T BRZ 0.03001 0.41302 6.12813
416 3TN7 NJP 0.04455 0.40859 6.22568
417 4YMH SAH 0.0007856 0.51834 6.25
418 2J5V PCA 0.03658 0.46487 6.26703
419 1YJQ NAP 0.00592 0.44455 6.27063
420 1NYT NAP 0.01536 0.44083 6.27306
421 3NKS FAD 0.0000004815 0.60934 6.28931
422 4FN4 NAD 0.04081 0.41213 6.29921
423 3DXY SAM 0.002344 0.5178 6.42202
424 1I36 NAP 0.0209 0.43897 6.43939
425 1OBB NAD 0.01667 0.44147 6.48536
426 4EUE NAI 0.01871 0.4241 6.48536
427 1BDB NAD 0.04224 0.40631 6.4982
428 4POO SAM 0.02068 0.43679 6.5
429 1D4O NAP 0.005647 0.45953 6.52174
430 1QAN SAH 0.017 0.4461 6.55738
431 1O6Z NAD 0.00337 0.47604 6.60066
432 1UAY ADN 0.01035 0.47658 6.61157
433 5TUK FAD 0.000002835 0.61365 6.61765
434 2AQJ TRP 0.00002767 0.48751 6.69456
435 2AQJ FAD 0.0000277 0.48546 6.69456
436 4U8P FDA 0.00004377 0.46578 6.69456
437 4U8P UDP 0.00005582 0.45905 6.69456
438 3VPH NAD 0.001467 0.47149 6.77419
439 3VPH OXM 0.001767 0.4632 6.77419
440 3G89 SAM 0.001591 0.52279 6.82731
441 1GEE NAD 0.02775 0.42 6.89655
442 2ZXI FAD 0.0000002979 0.61814 6.90377
443 4AP3 NAP 0.00003355 0.48065 6.90377
444 4AP3 FAD 0.00003355 0.48065 6.90377
445 4XZ3 COA 0.0379 0.42576 6.95652
446 1NVT NAP 0.00949 0.45368 6.96864
447 2JK0 ASP 0.04951 0.44725 7.07692
448 1GQ2 NAP 0.003371 0.46504 7.11297
449 3BXO SAM 0.0241 0.45559 7.11297
450 1QMG APX 0.02656 0.43367 7.11297
451 1HYH NAD 0.001113 0.48204 7.11974
452 5BR7 FAD 0.00001361 0.4918 7.12468
453 5BR7 FLC 0.00004458 0.47458 7.12468
454 3TWO NDP 0.02154 0.416 7.18391
455 1VL0 NAI 0.03573 0.4227 7.19178
456 3AB1 FAD 0.00000003047 0.64672 7.22222
457 1E3W NAD 0.0228 0.42399 7.27969
458 3OZ2 FAD 0.00000007679 0.63035 7.30479
459 3BGD SAH 0.04481 0.42202 7.30769
460 1JNR FAD 0.000003395 0.48925 7.33333
461 3GFB NAD 0.006398 0.45441 7.42857
462 3MB5 SAM 0.002759 0.48343 7.45098
463 2DKH FAD 0.0000002763 0.63686 7.53138
464 2DKH 3HB 0.000002648 0.57105 7.53138
465 1EBF NAD 0.003055 0.47816 7.5419
466 1CER NAD 0.001221 0.4916 7.55287
467 5MGZ SAH 0.04944 0.42673 7.62712
468 5H81 NAP 0.005369 0.47183 7.71208
469 1PNO NAP 0.01144 0.43793 7.77778
470 4PLG NAI 0.00513 0.43917 7.78443
471 3Q9N COA 0.02188 0.43104 7.80142
472 1LTH NAD 0.0005924 0.5135 7.83699
473 1LSS NAD 0.00001368 0.60973 7.85714
474 3OFK SAH 0.01797 0.44487 7.87037
475 4K5S FAD 0.00000146 0.60477 8.02239
476 4K5S PM0 0.0000528 0.49476 8.02239
477 3GRU AMP 0.0008692 0.5087 8.13559
478 3QWI NAP 0.03879 0.40966 8.14815
479 2XVF FAD 0.00000203 0.58294 8.159
480 3CIF NAD 0.0004262 0.50711 8.159
481 3CIF G3H 0.00777 0.4353 8.159
482 3QJ4 FAD 0.0000009261 0.59355 8.18713
483 2NU8 COA 0.00655 0.45642 8.24742
484 1RYI FAD 0.000006575 0.54845 8.37696
485 2XVE FAD 0.000002056 0.52155 8.40517
486 2CUL FAD 0.0000009633 0.60447 8.62069
487 1DSS NAD 0.0002257 0.53053 8.70871
488 4JJF FE9 0.01125 0.44272 8.72093
489 4JJF N2I 0.01698 0.42996 8.72093
490 1X14 NAD 0.0002014 0.5631 8.72818
491 4NBT NAD 0.04278 0.41298 8.75
492 1VE3 SAM 0.04428 0.43188 8.81057
493 4M73 M72 0.03039 0.4063 8.90208
494 3H8V ATP 0.0003045 0.54856 8.90411
495 2C7G FAD 0.000000008849 0.61434 8.99123
496 2C7G ODP 0.00000001306 0.61173 8.99123
497 2QA1 FAD 0.0000003651 0.62271 8.99582
498 2XYQ SAH 0.01193 0.46286 9.01639
499 2YYY NAP 0.003607 0.46367 9.0379
500 1PZG A3D 0.02027 0.41382 9.06344
501 3AD8 NAD 0.0000000009546 0.74023 9.15842
502 3AD8 PYC 0.0004287 0.43567 9.15842
503 3AD8 FAD 0.0004287 0.43567 9.15842
504 4II2 ATP 0.0001498 0.55573 9.20245
505 1NVM NAD 0.003533 0.45915 9.27536
506 4AZW SAM 0.03785 0.433 9.34183
507 3C6K SPD 0.006302 0.43729 9.44882
508 1EZ4 NAD 0.002814 0.47413 9.74843
509 5MZI FAD 0.000008721 0.50256 9.76139
510 5MZI FYK 0.000009732 0.49878 9.76139
511 5FI3 NAP 0.03921 0.41295 9.80392
512 2HK9 ATR 0.0004001 0.56794 9.81818
513 2HK9 NAP 0.005665 0.45946 9.81818
514 5JWC FAD 0.00000002878 0.67047 9.83264
515 2HHP FLC 0.004053 0.52719 9.83264
516 4KRI SAH 0.0255 0.43955 10.0418
517 2GAG NAD 0.0000000007363 0.72826 10.1235
518 2GAG FAD 0.00005531 0.50104 10.1235
519 2GAG FOA 0.00007657 0.4956 10.1235
520 1O5I NAD 0.008836 0.4667 10.4418
521 1L1E SAH 0.03239 0.43931 10.453
522 1F3L SAH 0.006964 0.46603 10.5919
523 1N2X SAM 0.0233 0.43419 10.6312
524 1BW9 NAD 0.001126 0.50655 10.6742
525 1BXG NAD 0.002916 0.47338 10.6742
526 1C1X NAD 0.001825 0.48319 10.7042
527 5ODQ FAD 0.00000008178 0.62133 10.7143
528 2VHW NAI 0.0005412 0.48293 10.8753
529 2VWA PTY 0.01429 0.46999 10.8911
530 2C29 NAP 0.03672 0.41615 10.9792
531 4DSG UDP 0.00001919 0.48883 11.0879
532 4DSG FAD 0.00001919 0.48883 11.0879
533 1F8G NAD 0.004793 0.47435 11.1979
534 2OOR NAD 0.008406 0.46184 11.1979
535 1L7E NAI 0.01319 0.44655 11.1979
536 2OOR TXP 0.01096 0.44327 11.1979
537 3OID NDP 0.02865 0.41393 11.2403
538 3A27 SAM 0.003493 0.4916 11.3971
539 4HA6 FAD 0.0000033 0.55423 11.5063
540 1NV8 MEQ 0.02488 0.42622 11.6197
541 1NV8 SAM 0.03253 0.41865 11.6197
542 1SAY PYR 0.00187 0.46444 11.6343
543 4NTC FAD 0.0000001247 0.61785 11.6418
544 1UUY PPI 0.003412 0.4872 11.976
545 1LLU NAD 0.009915 0.4326 11.9883
546 3HAD NAD 0.0175 0.40055 12.013
547 1OMO NAD 0.001236 0.49766 12.1118
548 2IID FAD 0.000004249 0.52269 12.3431
549 2IID PHE 0.000004249 0.52269 12.3431
550 1LUA NAP 0.01961 0.44554 12.5436
551 5J7X FAD 0.000002588 0.57492 12.7615
552 1EJ0 SAM 0.004287 0.48682 12.7778
553 5DLY SAH 0.01999 0.41408 12.782
554 5DLY 5D7 0.02633 0.40592 12.782
555 4D04 FAD 0.000009826 0.49444 13.3891
556 4D04 NAP 0.000009826 0.49444 13.3891
557 5VN0 FAD 0.0000001029 0.63338 13.5983
558 5VN0 NAI 0.00000001063 0.60181 13.5983
559 1T26 NAI 0.01421 0.4124 13.6646
560 3JUC PCA 0.02928 0.46498 13.7255
561 1YQD NAP 0.0352 0.40989 13.9344
562 3ICT ADP 0.0000002813 0.74444 14.0167
563 3ICS ADP 0.0000007476 0.7199 14.0167
564 3ICS FAD 0.00000002224 0.66114 14.0167
565 3ICT FAD 0.00000004737 0.65188 14.0167
566 2NPX FAD 0.00000004142 0.65434 14.3177
567 2NPX NAD 0.0000000007729 0.64415 14.3177
568 1SC6 NAD 0.005721 0.44737 14.3564
569 1J5P NAD 0.00515 0.45889 14.6245
570 4CJX NAP 0.004851 0.4654 15.3605
571 2RH4 EMO 0.01421 0.40804 16.2455
572 3NTA FAD 0.00000001722 0.66578 16.318
573 3NT6 FAD 0.00000004975 0.64655 16.318
574 1V8B NAD 0.001613 0.46264 16.318
575 4HSU FAD 0.0000006828 0.57786 16.6667
576 3CGB FAD 0.00000001971 0.66796 16.9456
577 4G74 FAD 0.000000141 0.63618 17.1548
578 4G74 UQ5 0.0000009268 0.56329 17.1548
579 3GD4 FAD 0.00000003415 0.58756 17.5732
580 3GD4 NAD 0.000000008504 0.56768 17.5732
581 4YCA NDP 0.0006551 0.50462 18.0272
582 2WK1 SAH 0.04409 0.42697 18.0851
583 2CDU ADP 0.000001619 0.6776 18.5841
584 2CDU FAD 0.00000006186 0.65147 18.5841
585 1YQZ FAD 0.0000001642 0.56132 18.9498
586 4NTD FAD 0.0000002483 0.61741 19.4118
587 2EV9 SKM 0.006113 0.44607 19.7719
588 2EV9 NAP 0.006113 0.44607 19.7719
589 5N53 8NB 0.01167 0.4918 20
590 4O0L NDP 0.0202 0.42449 20.3636
591 3ITJ FAD 0.0000002649 0.58058 20.4142
592 3ITJ CIT 0.003104 0.52852 20.4142
593 4EMI FAD 0.00000003474 0.65306 20.4878
594 4EMJ FAD 0.00000006513 0.63742 20.4878
595 4EMI NAD 0.000000008111 0.60264 20.4878
596 1VDC FAD 0.000001608 0.55426 20.7207
597 3FG2 FAD 0.00000004309 0.67268 21.0396
598 1Q1R FAD 0.000000022 0.66594 21.5777
599 2V3B FAD 0.00000003419 0.65786 22.9167
600 2V3A FAD 0.00000003773 0.65156 22.9167
601 2YVJ NAI 0.000002781 0.65809 23.5294
602 2YVJ FAD 0.0000000581 0.64813 23.5294
603 1XHC FAD 0.000000001898 0.71616 23.9782
604 2Q0L NAP 0.000003084 0.66925 25.7235
605 2Q0L FAD 0.00000001612 0.65366 25.7235
606 3CGD NAD 0.0000000003417 0.60099 26.9874
607 3CGD COA 0.0000000003417 0.42651 26.9874
608 3CGD FAD 0.0000000003417 0.42651 26.9874
609 3QV1 NAD 0.002307 0.47276 27.003
610 3KLJ FAD 0.000000003686 0.72008 27.5325
611 4YRY FAD 0.00000001683 0.64868 31.3808
612 4YRY NAD 0.0000001097 0.58204 31.3808
613 3CTY FAD 0.000000001359 0.68311 32.2884
614 2Q7V FAD 0.000000003449 0.68065 38.7692
615 3LZW FAD 0.00000005177 0.64583 39.1566
616 3LZW NAP 0.000005541 0.51154 39.1566
617 2FKA BEF 0.02909 0.42546 40
618 1MO9 KPC 0.0000000000001275 0.48122 43.7239
619 1MO9 FAD 0.0000000000001221 0.47984 43.7239
620 1ZK7 FAD 0.0000000000002846 0.82052 45.8244
621 2A8X FAD 0.0000000000006708 0.81792 46.1207
622 4M52 FAD 0.000000000001275 0.81289 46.1373
623 1V59 FAD 0.000000000001072 0.79832 46.6527
624 1V59 NAD 0.0000006133 0.72488 46.6527
625 4JDR FAD 0.0000000000006728 0.83017 46.8619
626 1LVL FAD 0.0000000000005046 0.82279 47.1616
627 1LVL NAD 0.00000948 0.61801 47.1616
628 1FL2 FAD 0.000000006081 0.67989 47.4194
629 3RNM FAD 0.0000000000003708 0.82806 47.4895
630 2F5Z FAD 0.0000000000003103 0.83111 47.6793
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