Receptor
PDB id Resolution Class Description Source Keywords
1T9D 2.3 Å EC: 2.2.1.6 CRYSTAL STRUCTURE OF YEAST ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH A SULFONYLUREA HERBICIDE, METSULFURON METHYL SACCHAROMYCES CEREVISIAE ACETOHYDROXYACID SYNTHASE ACETOLACTATE SYNTHASE HERBICIDESULFONYLUREA THIAMIN DIPHOSPHATE FAD INHIBITOR METSULFURON METHYL TRANSFERASE
Ref.: ELUCIDATING THE SPECIFICITY OF BINDING OF SULFONYLUREA HERBICIDES TO ACETOHYDROXYACID SYNTHASE. BIOCHEMISTRY V. 44 2330 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1MM A:695;
B:1695;
C:2695;
C:3695;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 9.4 nM
381.364 C14 H15 N5 O6 S Cc1nc...
FAD A:701;
B:1701;
C:2701;
D:3701;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
K A:1696;
B:696;
C:3696;
D:2696;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
MG A:1699;
B:699;
C:3699;
D:2699;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
P22 C:3702;
D:2702;
Valid;
Valid;
none;
none;
submit data
206.028 C2 H8 O7 P2 CCO[P...
P25 A:1698;
B:698;
Valid;
Valid;
none;
none;
submit data
248.108 C5 H14 O7 P2 CCCCC...
PYD A:703;
B:1703;
C:2703;
D:3703;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
123.156 C6 H9 N3 Cc1cn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T9D 2.3 Å EC: 2.2.1.6 CRYSTAL STRUCTURE OF YEAST ACETOHYDROXYACID SYNTHASE IN COMPLEX WITH A SULFONYLUREA HERBICIDE, METSULFURON METHYL SACCHAROMYCES CEREVISIAE ACETOHYDROXYACID SYNTHASE ACETOLACTATE SYNTHASE HERBICIDESULFONYLUREA THIAMIN DIPHOSPHATE FAD INHIBITOR METSULFURON METHYL TRANSFERASE
Ref.: ELUCIDATING THE SPECIFICITY OF BINDING OF SULFONYLUREA HERBICIDES TO ACETOHYDROXYACID SYNTHASE. BIOCHEMISTRY V. 44 2330 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1T9D Ki = 9.4 nM 1MM C14 H15 N5 O6 S Cc1nc(nc(n....
2 1T9C - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5FEM - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 1T9B Ki = 127 nM 1CS C12 H12 Cl N5 O4 S Cc1nc(nc(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1T9D Ki = 9.4 nM 1MM C14 H15 N5 O6 S Cc1nc(nc(n....
2 1T9C - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5FEM - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 1T9B Ki = 127 nM 1CS C12 H12 Cl N5 O4 S Cc1nc(nc(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1T9D Ki = 9.4 nM 1MM C14 H15 N5 O6 S Cc1nc(nc(n....
2 1T9C - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5FEM - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
4 1T9B Ki = 127 nM 1CS C12 H12 Cl N5 O4 S Cc1nc(nc(n....
5 1YBH Ki = 10.8 nM CIE C15 H15 Cl N4 O6 S CCOC(=O)c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1MM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 1MM 1 1
2 1SM 0.69697 0.955882
3 1CS 0.661765 0.930556
4 CIE 0.52439 0.858974
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
Ligand no: 3; Ligand: P22; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 P22 1 1
2 P23 0.566667 0.875
3 DPF 0.56 0.741935
4 EFS 0.541667 0.892857
5 P25 0.485714 0.777778
6 DED 0.470588 0.6
7 0CM 0.457143 0.870968
8 IPR 0.457143 0.771429
9 0CG 0.454545 0.866667
10 IPE 0.444444 0.710526
11 DMA 0.444444 0.794118
12 3PO 0.44 0.75
13 0CH 0.416667 0.722222
14 43W 0.416667 0.787879
15 EIP 0.410256 0.75
16 0CJ 0.410256 0.72973
17 0JX 0.405405 0.8125
18 0CN 0.405405 0.83871
19 H6P 0.4 0.72973
Ligand no: 4; Ligand: P25; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 P25 1 1
2 0CH 0.638889 0.794872
3 P23 0.617647 0.888889
4 0CJ 0.536585 0.894737
5 0K2 0.525 0.810811
6 DED 0.487179 0.666667
7 P22 0.485714 0.777778
8 IPR 0.475 0.842105
9 0JX 0.463415 0.783784
10 IPE 0.463415 0.825
11 43W 0.439024 0.763158
12 EIP 0.431818 0.868421
13 BHI 0.413043 0.785714
14 0O3 0.409091 0.714286
Ligand no: 5; Ligand: PYD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PYD 1 1
2 NSP 0.457143 0.735294
3 HMH 0.444444 0.657895
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T9D; Ligand: PYD; Similar sites found: 67
This union binding pocket(no: 1) in the query (biounit: 1t9d.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NAA 6FA 0.0483 0.40206 1.47874
2 5HSA FAS 0.03436 0.40733 1.5083
3 1Q9I TEO 0.04489 0.41148 1.75131
4 1TKB N1T 0.00455 0.44493 1.92024
5 2C42 PYR 0.0000671 0.53016 2.06795
6 2C42 TPP 0.0000671 0.53016 2.06795
7 3AI7 TPP 0.006069 0.42817 2.06795
8 3EPO MP5 0.0101 0.40756 2.21566
9 2R5N R5P 0.005566 0.43937 2.36337
10 2R5N RP5 0.00596 0.43906 2.36337
11 4BLW AMP 0.02995 0.40378 2.42215
12 5K8V 6RE 0.0418 0.41185 2.49307
13 1GY8 UDP 0.007436 0.40029 2.51889
14 4XTX 590 0.01759 0.40835 2.59259
15 1PVN MZP 0.02239 0.41514 2.65957
16 5IXJ THR 0.01729 0.41125 3.28283
17 4GIM PSU 0.01478 0.40152 3.28358
18 4Y2H SAH 0.0159 0.42276 3.40909
19 4Y2H 49K 0.01996 0.4177 3.40909
20 1DUB CAA 0.04861 0.41204 3.44828
21 2WET FAD 0.04183 0.40289 3.5225
22 2C49 ADN 0.0112 0.40355 3.64238
23 5ND5 TPP 0.002504 0.44355 3.84047
24 2IVF MGD 0.01885 0.41802 4.20561
25 2X7J TPP 0.00004829 0.42916 4.80132
26 1W85 TDP 0.007356 0.4177 4.93827
27 2FXD DR7 0.02465 0.40237 6.06061
28 3ZEU AGS 0.008654 0.41433 6.23145
29 3ZEU ADP 0.006596 0.41433 6.23145
30 1L3I SAH 0.03107 0.42005 6.25
31 5EXE 5SR 0.001468 0.46417 6.6879
32 2C29 NAP 0.02243 0.41864 6.82493
33 2C29 DQH 0.02243 0.41864 6.82493
34 3DVA TPW 0.006759 0.4259 7.00935
35 1Q0R AKT 0.01541 0.40066 7.04698
36 3GGU 017 0.01149 0.41745 7.07071
37 1UMD TDP COI 0.007042 0.42503 7.23781
38 1ON3 MCA 0.0134 0.41142 8.60421
39 1E6E FAD 0.02583 0.40908 8.91304
40 4YDU ADP 0.01268 0.40805 9.2827
41 1HDR NAD 0.03546 0.41217 9.42623
42 5B48 TDN 0.0001594 0.51166 10.1639
43 3EXH TPP 0.003397 0.43369 13.3508
44 5ESO ISC 0.00001985 0.56286 14.1115
45 5ESO TDP 0.00001985 0.56286 14.1115
46 1QPB PYM 0.0000003361 0.63682 36.7673
47 1QPB TPP 0.0000003361 0.63682 36.7673
48 2VK4 TPP 0.00000006435 0.66924 36.9449
49 2VBF TPP 0.00000006226 0.67723 37.193
50 2NXW TPP 0.000000004593 0.73997 38.0531
51 2C31 ADP 0.000006273 0.62613 40.493
52 2C31 TZD 0.000006503 0.62613 40.493
53 1ZPD DPX 0.0000001085 0.6654 41.0211
54 4KGD FAD 0.0009741 0.50765 43.4494
55 4KGD TDP 0.0009462 0.50765 43.4494
56 2Q28 TPP 0.0006005 0.4769 43.617
57 1V5F FAD 0.02911 0.42528 43.9728
58 1OZH HE3 0.0000001347 0.70155 44.6996
59 1UPA TPP 0.00000002961 0.68558 44.8517
60 2IHT TPP 0.0000001192 0.65627 44.8517
61 2IHU TP9 0.00000002828 0.45888 45.0262
62 3IAE D7K 0.00000001549 0.71155 45.0877
63 2UZ1 TPP 0.00000001859 0.52682 45.6483
64 3EYA TDP 0.00000002181 0.692 45.9016
65 3FSJ D7K 0.001603 0.46501 46.0227
66 4RJK TDL 0.0000000004635 0.78429 48.5114
67 4RJK TPP 0.0000000004873 0.7778 48.5114
Pocket No.: 2; Query (leader) PDB : 1T9D; Ligand: FAD; 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: 1t9d.bio2) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1T9D; Ligand: 1MM; 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: 1t9d.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1T9D; Ligand: PYD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1t9d.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1T9D; Ligand: P22; Similar sites found: 246
This union binding pocket(no: 5) in the query (biounit: 1t9d.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C2N NAG 0.00511 0.41028 None
2 1X6V ADP 0.02909 0.40893 0.952381
3 4UP3 FAD 0.01269 0.44145 1.27389
4 1FEC FAD 0.02255 0.43277 1.42857
5 2Q0L FAD 0.04725 0.4107 1.60772
6 3VPH OXM 0.04771 0.40503 1.6129
7 2YIC TPP 0.0003653 0.50929 1.62482
8 5IRN ADP 0.004244 0.43572 1.62482
9 2FNA ADP 0.02192 0.40685 1.68067
10 3QFU ADP 0.01303 0.41315 1.77665
11 3G5S FAD 0.03217 0.41639 1.80587
12 5MQ6 NDP 0.03267 0.40087 1.83206
13 2J5V PCA 0.0282 0.40473 1.90736
14 3KJS NAP 0.005779 0.44751 1.91939
15 3KJS DQ1 0.009841 0.44751 1.91939
16 4USR FAD 0.04468 0.40458 1.93906
17 5MZI FYK 0.04225 0.42551 1.95228
18 5MZI FAD 0.04124 0.42551 1.95228
19 2C42 TPP 0.000003451 0.61977 2.06795
20 2C42 PYR 0.000003451 0.61977 2.06795
21 3AI7 TPP 0.001748 0.47039 2.06795
22 3NTA FAD 0.03709 0.41392 2.09059
23 1U72 MTX 0.02583 0.43246 2.15054
24 1U72 NDP 0.02583 0.43246 2.15054
25 1GQ2 NAP 0.01883 0.419 2.16216
26 1W5T ANP 0.01161 0.4194 2.18447
27 1W5T ADP 0.01573 0.40899 2.18447
28 3CTY FAD 0.03352 0.42153 2.19436
29 3HBF MYC 0.03976 0.40839 2.20264
30 3HBF UDP 0.02076 0.40642 2.20264
31 5N5D SAM 0.02613 0.40126 2.21239
32 4D04 FAD 0.04216 0.42675 2.21402
33 4D04 NAP 0.04216 0.42675 2.21402
34 3IHG FAD 0.02541 0.41569 2.24299
35 2WME NAP 0.02131 0.4041 2.2449
36 2OAT PFM 0.01947 0.40428 2.2779
37 3NTD FAD 0.02357 0.42478 2.30088
38 2WPF WPF 0.03252 0.44737 2.42424
39 2WPF FAD 0.04972 0.43505 2.42424
40 5TUK FAD 0.03173 0.40692 2.45098
41 5JCA NDP 0.04829 0.42273 2.46479
42 5JCA FAD 0.0298 0.42273 2.46479
43 1D2N ANP 0.02689 0.40061 2.57353
44 3S5W FAD 0.02557 0.41555 2.59179
45 5F2T PLM 0.02749 0.40012 2.5974
46 3ITJ FAD 0.02658 0.43104 2.66272
47 1P31 EPU 0.02475 0.40076 2.73684
48 1DJN ADP 0.003879 0.44909 2.8065
49 2JAH NDP 0.04374 0.40293 2.83401
50 2C1X UDP 0.03744 0.41181 2.85088
51 3OTH CLJ 0.0187 0.43309 2.91262
52 3OTH TYD 0.009398 0.41834 2.91262
53 2RGO FAD 0.03548 0.41406 2.9654
54 3OTI TYD 0.02491 0.40398 3.01508
55 5FPE 3TR 0.01218 0.41267 3.10192
56 2W9S NDP 0.027 0.40938 3.10559
57 4CZG ADP 0.04515 0.40535 3.16092
58 4CZG QH3 0.04707 0.40535 3.16092
59 4USI ATP 0.02429 0.40454 3.24675
60 4D79 ATP 0.02114 0.40427 3.26087
61 2IYA UDP 0.01191 0.41106 3.30189
62 5BUK FAD 0.03316 0.42098 3.33333
63 2XGT NSS 0.009826 0.43258 3.44828
64 2WET FAD 0.02331 0.42866 3.5225
65 3GD4 FAD 0.02284 0.42457 3.5225
66 4LAE NAP 0.04155 0.42003 3.54505
67 4LAE 1VM 0.04155 0.42003 3.54505
68 2Q8Z NUP 0.01731 0.41531 3.54505
69 5EZ7 FAD 0.03699 0.41489 3.57143
70 4EIL NDP 0.01557 0.42338 3.71025
71 3FG2 FAD 0.04591 0.40393 3.71287
72 3RG9 NDP 0.008978 0.44457 3.75
73 3RG9 WRA 0.01026 0.44457 3.75
74 2VCH UDP 0.03209 0.40666 3.75
75 1N4W FAD 0.04565 0.41318 3.76984
76 4RGQ NDP 0.01698 0.42266 3.80435
77 4MO2 FAD 0.03644 0.41434 3.80435
78 4MO2 FDA 0.03772 0.41258 3.80435
79 3S2U UD1 0.0232 0.40558 3.83562
80 3UOY NAP 0.04251 0.42879 3.85321
81 3UOY FAD 0.04251 0.42879 3.85321
82 3NRR D16 0.03531 0.42182 3.8835
83 3NRR NAP 0.03484 0.41895 3.8835
84 1QO8 FAD 0.03054 0.42213 3.88693
85 3EEL 53T 0.01847 0.43248 3.96476
86 3ZLB ANP 0.01063 0.42475 4.0201
87 1AOE GW3 0.02121 0.42824 4.16667
88 1AOE NDP 0.02121 0.42824 4.16667
89 5KMS FAD 0.01561 0.43259 4.19753
90 4OR7 NAP 0.00998 0.4336 4.24242
91 5UAO FAD 0.028 0.42249 4.25139
92 3IID APR 0.007996 0.43869 4.2654
93 4X9M FAD 0.00751 0.45395 4.30622
94 1NVM NAD 0.01173 0.43371 4.34783
95 4YRY FAD 0.0428 0.41394 4.34783
96 1D4O NAP 0.03986 0.40036 4.34783
97 1NLM UD1 0.01575 0.40897 4.3956
98 2FZH DH1 0.0224 0.42875 4.43131
99 5JCM NAD 0.04889 0.42469 4.43459
100 5JCM FAD 0.04889 0.42469 4.43459
101 5V2J UDP 0.01499 0.42801 4.45434
102 5V2J 7WV 0.01499 0.42801 4.45434
103 1PS9 FAD 0.01355 0.44081 4.47094
104 1M0S CIT 0.007697 0.41329 4.56621
105 3CNL GNP 0.008535 0.41109 4.58015
106 1FNN ADP 0.01703 0.40909 4.62725
107 5KBF CMP 0.0127 0.40965 4.65116
108 5WDR GNP 0.0209 0.41392 4.67836
109 2X7J TPP 0.000007484 0.42753 4.80132
110 2O1S TDP 0.003829 0.43797 4.83092
111 2IVN ANP 0.03778 0.4003 4.84848
112 1W85 TDP 0.008086 0.42922 4.93827
113 2FAV APR 0.03402 0.40272 5
114 2R4J FAD 0.03454 0.42601 5.18962
115 2R4J 13P 0.03454 0.42601 5.18962
116 5I39 FAD 0.008728 0.44839 5.39216
117 5BYK OAQ 0.0441 0.40883 5.40541
118 5BYK A3P 0.0441 0.40883 5.40541
119 5URV NER 0.02094 0.40266 5.40541
120 5TIV A3P 0.03164 0.42043 5.5336
121 3WQT ANP 0.02346 0.40532 5.57851
122 4KM2 ATR 0.01147 0.4409 5.58659
123 4KM2 TOP 0.01091 0.43416 5.58659
124 5DHF GNP 0.01158 0.42741 5.59441
125 5UWP GNP 0.01502 0.42286 5.59441
126 5UWU GNP 0.01413 0.42286 5.59441
127 5DI9 GNP 0.01527 0.42249 5.59441
128 5UWO GNP 0.01456 0.42218 5.59441
129 5UWT GNP 0.01461 0.42211 5.59441
130 5UWW GNP 0.01495 0.42158 5.59441
131 5UWS GNP 0.01661 0.42056 5.59441
132 5UWI GNP 0.01728 0.41827 5.59441
133 1NJF ADP 0.00807 0.42565 5.6
134 1NJF AGS 0.01409 0.41678 5.6
135 1Z6T ADP 0.01791 0.40613 5.613
136 1O94 ADP 0.007733 0.4351 5.625
137 2BFR ADP 0.009607 0.42864 5.72917
138 3F8D FAD 0.03192 0.43715 5.88235
139 2V7Y ADP 0.01937 0.40439 5.89391
140 4R98 GNH 0.01149 0.40725 5.90406
141 5BVA FAD 0.02846 0.4255 5.90842
142 1D1G NDP 0.01189 0.42534 5.95238
143 2WIC GNP 0.01296 0.407 5.99251
144 3ZBQ GDP 0.02353 0.40361 6.00601
145 4OUC 5ID 0.01841 0.40156 6.16247
146 1AE1 NAP 0.03698 0.40907 6.22711
147 3ZEU AGS 0.02792 0.4014 6.23145
148 3ZEU ADP 0.02217 0.4014 6.23145
149 1NYT NAP 0.0112 0.42817 6.27306
150 3RYC GTP 0.02835 0.41313 6.29371
151 2OHH FMN 0.02652 0.40413 6.43564
152 4R74 F6P 0.02606 0.40296 6.54206
153 1IN4 ADP 0.008343 0.42492 6.58683
154 5EXE 5SR 0.000000562 0.66154 6.6879
155 2BL9 NDP 0.01316 0.43663 6.72269
156 2BL9 CP6 0.01316 0.43663 6.72269
157 3IA4 NDP 0.01431 0.42909 6.79012
158 3M1I GTP 0.009592 0.4317 6.84932
159 3WYF GTP 0.01138 0.42922 6.84932
160 1KNR FAD 0.01887 0.43197 6.85185
161 5T2U NAP 0.04227 0.40589 6.85484
162 3DVA TPW 0.008794 0.43368 7.00935
163 5FJN FAD 0.004509 0.46805 7.01754
164 5FJN BE2 0.005061 0.46805 7.01754
165 5TDF 7A3 0.01537 0.4095 7.09877
166 5BR7 FLC 0.03771 0.42896 7.12468
167 5BR7 FAD 0.03771 0.42896 7.12468
168 5XDT MB3 0.04926 0.40225 7.14286
169 3I7S PYR 0.0003751 0.42207 7.19178
170 3KIH GDL 0.008138 0.40936 7.2165
171 1UMD TDP COI 0.001352 0.47621 7.23781
172 4CNK FAD 0.03365 0.41893 7.23781
173 5U5G NAP 0.02982 0.40959 7.38552
174 3GJX GTP 0.00839 0.43475 7.40741
175 5UWR GNP 0.0132 0.42443 7.40741
176 1FL2 FAD 0.01251 0.44084 7.41935
177 2CIG 1DG 0.02917 0.42325 7.54717
178 3KIF GDL 0.01229 0.40331 7.54717
179 1TL2 NDG 0.003864 0.42507 7.62712
180 5J60 FAD 0.03929 0.41432 7.8125
181 3MJY IJZ 0.03652 0.40829 8.09249
182 3MJY FMN 0.03652 0.40829 8.09249
183 1T3Q FAD 0.04199 0.41001 8.12408
184 3WYG GTP 0.02226 0.41382 8.24176
185 2J9D ADP 0.005034 0.44155 8.40336
186 3NCQ ATP 0.009094 0.42659 8.40336
187 2CBZ ATP 0.01996 0.40051 8.43882
188 2B4G FMN 0.03399 0.40405 8.51735
189 4HSE ADP 0.01041 0.41176 8.81612
190 3A4V PYR 0.04514 0.40733 8.83281
191 3A4V NAD 0.04514 0.40733 8.83281
192 2HJR APR 0.02146 0.41044 8.84146
193 2Z6I FMN 0.02327 0.40709 9.03614
194 3AD8 NAD 0.008992 0.44342 9.09091
195 3HWW AKG 0.0001168 0.51406 9.35252
196 3OCP CMP 0.01107 0.40805 9.35252
197 4M7V NAP 0.008034 0.44249 9.71429
198 4M7V RAR 0.01361 0.44249 9.71429
199 2GAG NAD 0.0262 0.4213 10.101
200 5B48 TDN 0.000000004355 0.77341 10.1639
201 3AB1 FAD 0.03671 0.41597 10.8333
202 2V3B FAD 0.04964 0.40598 10.9091
203 1DR1 HBI 0.01696 0.43164 11.1111
204 1DR1 NAP 0.01696 0.43164 11.1111
205 2CUL FAD 0.02565 0.41982 11.2069
206 2WJG GDP 0.01182 0.40415 11.7021
207 5KZD RCJ 0.01363 0.41018 11.9454
208 3DFR NDP 0.006136 0.44187 12.3457
209 1U70 MTX 0.02375 0.42906 12.3656
210 1U70 NDP 0.02375 0.42906 12.3656
211 2HK9 NAP 0.0161 0.42127 12.7273
212 4BWL MN9 0.006951 0.41607 12.8289
213 1IBR GNP 0.005234 0.44549 12.963
214 4HAT GNP 0.01289 0.42636 12.963
215 3EXH TPP 0.002284 0.45744 13.3508
216 2OZL TPP 0.002652 0.45411 13.6986
217 5NUL FMN 0.02205 0.40153 13.7681
218 5ESO ISC 0.000006853 0.61095 14.1115
219 5ESO TDP 0.000006853 0.61095 14.1115
220 5ITZ GTP 0.03199 0.40545 15.5039
221 1WA5 GTP 0.01105 0.43385 15.9091
222 3AB3 GDP 0.02328 0.40386 16.2602
223 5L2Z 70C 0.03383 0.41222 18.9655
224 2ZA5 2FF 0.03184 0.40287 19.1837
225 3EWP APR 0.0353 0.40318 19.774
226 1FFU FAD 0.04046 0.40995 23.3129
227 2YVJ FAD 0.01954 0.42828 23.8532
228 1QPB TPP 0.0000002953 0.66971 36.7673
229 1QPB PYM 0.0000002953 0.66971 36.7673
230 2VK4 TPP 0.0000000474 0.70881 36.9449
231 2VBF TPP 0.00000005192 0.71408 37.193
232 2NXW TPP 0.0002613 0.55669 38.0531
233 2C31 TZD 0.01308 0.48748 40.493
234 1ZPD DPX 0.00000003016 0.72653 41.0211
235 4KGD TDP 0.0004863 0.57363 43.4494
236 2Q28 TPP 0.03372 0.42797 43.617
237 1OZH HE3 0.0000000208 0.77866 44.6996
238 2IHT TPP 0.000000007047 0.75202 44.8517
239 1UPA TPP 0.000000009172 0.74605 44.8517
240 2IHU TP9 0.00000001641 0.75372 45.0262
241 3IAE D7K 0.0007015 0.53068 45.0877
242 5UWH GNP 0.01365 0.42366 45.4545
243 2UZ1 TPP 0.00000002027 0.48772 45.6483
244 3EYA TDP 0.00000002222 0.72598 45.9016
245 3FSJ D7K 0.002955 0.52553 46.0227
246 4RJK TPP 0.0000414 0.59574 48.5114
Pocket No.: 6; Query (leader) PDB : 1T9D; Ligand: 1MM; Similar sites found: 4
This union binding pocket(no: 6) in the query (biounit: 1t9d.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J5V PCA 0.009462 0.43231 1.90736
2 5AA4 6X4 0.02271 0.40306 2.88248
3 1UJ2 C5P 0.01474 0.40573 3.57143
4 1ZDU P3A 0.009107 0.41569 8.57143
Pocket No.: 7; Query (leader) PDB : 1T9D; Ligand: P22; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1t9d.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1T9D; Ligand: FAD; Similar sites found: 65
This union binding pocket(no: 8) in the query (biounit: 1t9d.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KPG SAH 0.007701 0.41571 1.74216
2 4DMG SAM 0.004842 0.45007 1.78117
3 4YDD MGD 0.001904 0.42145 1.8018
4 4YDD MD1 0.001904 0.42145 1.8018
5 1J78 OLA 0.03842 0.41759 1.96507
6 3TLJ SAH 0.01095 0.40619 2.14477
7 1G55 SAH 0.0112 0.41429 2.33236
8 2V3V MGD 0.00268 0.41597 2.36337
9 3U31 NAD 0.0000088 0.41707 2.51108
10 5UXF 2BA 0.02059 0.41109 2.63158
11 3G2O SAM 0.003725 0.43982 2.67559
12 4JSR 1NQ 0.001227 0.41325 2.80702
13 1SZD APR 0.0004752 0.4314 3.0303
14 3OFK SAH 0.01085 0.42131 3.24074
15 1XDS SAM 0.01707 0.4185 3.74332
16 1DJL NAP 0.00004283 0.43416 3.86473
17 1NM5 NAP 0.0004238 0.43124 3.94089
18 1NM5 NAD 0.0004733 0.43046 3.94089
19 3LST SAH 0.03031 0.40928 4.2836
20 1D4O NAP 0.00002271 0.42266 4.34783
21 1LVL NAD 0.0136 0.40751 4.36681
22 4RLQ 3SK 0.02653 0.42379 4.4316
23 1PNO NAP 0.00002391 0.43255 4.44444
24 3ML1 MGD 0.004642 0.40657 4.44444
25 1G8K MGD 0.0004774 0.42629 4.51128
26 2OOR TXP 0.00002386 0.42413 4.5977
27 5DY5 5GR 0.0002419 0.44685 4.60526
28 1JQ3 AAT 0.003342 0.40499 4.72973
29 4NEC SAH 0.01219 0.42226 4.92424
30 1EFV FAD 0.00000063 0.53637 5.09804
31 1EFV AMP 0.0000006932 0.53489 5.09804
32 5N53 8NB 0.04688 0.41208 5.12821
33 1DJ9 KAM 0.03125 0.40214 5.20833
34 3DMH SAM 0.01038 0.41281 5.24934
35 4BUZ OCZ 0.0001545 0.41045 5.613
36 4BUZ OAD 0.0001555 0.41033 5.613
37 4BUZ NAD 0.0001465 0.40054 5.613
38 1O97 FAD 0.0000006882 0.53387 5.625
39 1O97 AMP 0.0000006882 0.53387 5.625
40 2VDV SAM 0.003542 0.45262 5.69106
41 3ZG6 APR 0.00002887 0.40017 5.74324
42 3RIY NAD 0.0000229 0.42879 5.86081
43 2NYR SVR 0.00437 0.41267 5.90406
44 5MF6 7M2 0.0001512 0.41046 6.29139
45 5MF6 AR6 0.0001512 0.41046 6.29139
46 1S7G NAD 0.00003909 0.42685 6.32411
47 1S7G APR 0.00008176 0.4247 6.32411
48 1M2K APR 0.00001908 0.42615 6.4257
49 3ABI NAD 0.002497 0.41706 7.39726
50 3FPF MTA 0.0009275 0.40719 10.4027
51 3FPF TNA 0.0009275 0.40719 10.4027
52 5HJM MTA 0.005714 0.42775 11.9318
53 4I5I NAD 0.00006363 0.41422 13.2404
54 2FK8 SAM 0.005104 0.42674 13.522
55 4KXQ APR 0.00003233 0.40079 13.5231
56 4QTU SAM 0.005827 0.42736 14.8148
57 3GDH SAH 0.005321 0.41698 15.3527
58 2C31 TZD 0.000001728 0.53347 40.493
59 2C31 ADP 0.000001634 0.53347 40.493
60 4KGD TDP 0.0000002549 0.56116 43.4494
61 4KGD FAD 0.0000002713 0.56116 43.4494
62 2Q28 ADP 0.00000001343 0.47971 43.617
63 1V5F FAD 0.00000009819 0.57205 43.9728
64 1V5F TPP 0.0006587 0.49729 43.9728
65 3EYA FAD 0.000000001255 0.58733 45.9016
Pocket No.: 9; Query (leader) PDB : 1T9D; Ligand: FAD; Similar sites found: 22
This union binding pocket(no: 9) in the query (biounit: 1t9d.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X1L ADN 0.04319 0.42007 1.52672
2 1M2W NAD 0.04225 0.40465 1.62272
3 1R9J TPP 0.0009585 0.48001 1.78306
4 1RP7 TZD 0.004488 0.44006 1.92024
5 5AOA PPI 0.04877 0.40168 3.4965
6 2X7J TPP 0.0000002467 0.63646 4.80132
7 2B6N ALA PRO THR 0.006529 0.47096 9.71223
8 5TDC NMM ILE PHE SER 0.0398 0.43965 10.5263
9 5ESO TDP 0.00000002081 0.42014 14.1115
10 5ESO ISC 0.00000002081 0.42014 14.1115
11 1QPB PYM 0.000000008129 0.4009 36.7673
12 2VK4 TPP 0.000000003037 0.40097 36.9449
13 2VBF TPP 0.000000001928 0.4152 37.193
14 2NXW TPP 0.000000000575 0.43188 38.0531
15 1ZPD DPX 0.000000002616 0.41329 41.0211
16 1OZH HE3 0.000004735 0.40715 44.6996
17 1UPA TPP 0.0000000009749 0.40671 44.8517
18 2IHT TPP 0.00000000207 0.40005 44.8517
19 2IHU TP9 0.0000000008164 0.44633 45.0262
20 2UZ1 TPP 0.00000000004088 0.80831 45.6483
21 3EYA TDP 0.0000000002676 0.41436 45.9016
22 4RJK TPP 0.0000000001269 0.42454 48.5114
Pocket No.: 10; Query (leader) PDB : 1T9D; Ligand: P25; Similar sites found: 49
This union binding pocket(no: 10) in the query (biounit: 1t9d.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KPG SAH 0.02518 0.41556 1.74216
2 4DMG SAM 0.01989 0.44182 1.78117
3 1R9J TPP 0.0009258 0.48071 1.78306
4 1RP7 TZD 0.005024 0.43786 1.92024
5 3TLJ SAH 0.02907 0.41015 2.14477
6 1G55 SAH 0.03438 0.41398 2.33236
7 3G2O SAM 0.01138 0.44105 2.67559
8 1SZD APR 0.002058 0.4349 3.0303
9 3OFK SAH 0.03009 0.42244 3.24074
10 5AOA PPI 0.02316 0.42549 3.4965
11 1XDS SAM 0.04467 0.41927 3.74332
12 1LVL NAD 0.03691 0.40991 4.36681
13 1G8K MGD 0.001937 0.43154 4.51128
14 1JQ3 AAT 0.01107 0.40949 4.72973
15 2X7J TPP 0.0000002203 0.63869 4.80132
16 4NEC SAH 0.04747 0.41783 4.92424
17 3DMH SAM 0.02909 0.41502 5.24934
18 1O97 AMP 0.000003195 0.41806 5.625
19 1O97 FAD 0.000003195 0.41806 5.625
20 2VDV SAM 0.008321 0.4586 5.69106
21 2B6N ALA PRO THR 0.007545 0.4661 9.71223
22 5TDC NMM ILE PHE SER 0.0381 0.44112 10.5263
23 5HJM MTA 0.02146 0.42424 11.9318
24 2FK8 SAM 0.02005 0.42297 13.522
25 5ESO TDP 0.00000001889 0.4206 14.1115
26 5ESO ISC 0.00000001889 0.4206 14.1115
27 4QTU SAM 0.0191 0.42677 14.8148
28 3GDH SAH 0.01415 0.42244 15.3527
29 1QPB PYM 0.000000007611 0.40115 36.7673
30 2VK4 TPP 0.000000003011 0.40093 36.9449
31 2VBF TPP 0.000000001844 0.41535 37.193
32 2NXW TPP 0.0000000005273 0.43227 38.0531
33 2C31 ADP 0.00000000003001 0.56207 40.493
34 2C31 TZD 0.00000000003472 0.56207 40.493
35 1ZPD DPX 0.00000000221 0.4147 41.0211
36 4KGD TDP 0.0000000009298 0.52046 43.4494
37 4KGD FAD 0.000000001087 0.52046 43.4494
38 1V5F FAD 0.000000003418 0.50134 43.9728
39 1V5F TPP 0.0005668 0.44352 43.9728
40 1OZH HE3 0.000002903 0.41252 44.6996
41 1UPA TPP 0.0000000008548 0.40706 44.8517
42 2IHT TPP 0.000000001769 0.40059 44.8517
43 2IHU TP9 0.0000000008508 0.68957 45.0262
44 3IAE D7K 0.00000000001247 0.45516 45.0877
45 2UZ1 TPP 0.00000000004837 0.80499 45.6483
46 3EYA FAD 0.000000007576 0.42932 45.9016
47 3EYA TDP 0.0000000002562 0.41453 45.9016
48 4RJK TDL 0.00000000007074 0.43848 48.5114
49 4RJK TPP 0.00000000007693 0.42658 48.5114
Pocket No.: 11; Query (leader) PDB : 1T9D; Ligand: PYD; Similar sites found: 20
This union binding pocket(no: 11) in the query (biounit: 1t9d.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X1L ADN 0.04319 0.42007 1.52672
2 1M2W NAD 0.04225 0.40465 1.62272
3 4DMG SAM 0.0182 0.44394 1.78117
4 1R9J TPP 0.0009585 0.48001 1.78306
5 1RP7 TZD 0.004488 0.44006 1.92024
6 3TLJ SAH 0.03535 0.4061 2.14477
7 1SZD APR 0.001752 0.43768 3.0303
8 3OFK SAH 0.02928 0.42306 3.24074
9 5AOA PPI 0.04877 0.40168 3.4965
10 1EFV FAD 0.00001544 0.40001 5.09804
11 1O97 FAD 0.000003108 0.41861 5.625
12 1O97 AMP 0.000003108 0.41861 5.625
13 2VDV SAM 0.009205 0.45625 5.69106
14 2B6N ALA PRO THR 0.006529 0.47096 9.71223
15 5TDC NMM ILE PHE SER 0.0398 0.43965 10.5263
16 5HJM MTA 0.02933 0.41744 11.9318
17 4QTU SAM 0.0248 0.41843 14.8148
18 3GDH SAH 0.01753 0.41811 15.3527
19 1V5F TPP 0.0006333 0.44197 43.9728
20 3EYA FAD 0.000000009877 0.4277 45.9016
Pocket No.: 12; Query (leader) PDB : 1T9D; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1t9d.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1T9D; Ligand: P25; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1t9d.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1T9D; Ligand: PYD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1t9d.bio1) has 76 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1T9D; Ligand: 1MM; Similar sites found: 37
This union binding pocket(no: 15) in the query (biounit: 1t9d.bio1) has 77 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X1L ADN 0.04404 0.42007 1.52672
2 1M2W NAD 0.04318 0.40465 1.62272
3 4DMG SAM 0.01858 0.44394 1.78117
4 1R9J TPP 0.0009866 0.48001 1.78306
5 1RP7 TZD 0.004614 0.44006 1.92024
6 3TLJ SAH 0.02486 0.41631 2.14477
7 1SZD APR 0.001811 0.43768 3.0303
8 3OFK SAH 0.0299 0.42306 3.24074
9 5AOA PPI 0.0495 0.40168 3.4965
10 2X7J TPP 0.0000002576 0.63646 4.80132
11 1O97 FAD 0.000003248 0.41593 5.625
12 1O97 AMP 0.000003248 0.41593 5.625
13 2VDV SAM 0.009411 0.45625 5.69106
14 5T8O 76Z 0.04988 0.40628 6.30372
15 2B6N ALA PRO THR 0.006648 0.47096 9.71223
16 5TDC NMM ILE PHE SER 0.04049 0.43965 10.5263
17 5HJM MTA 0.02998 0.41744 11.9318
18 5ESO TDP 0.00000002195 0.41748 14.1115
19 5ESO ISC 0.00000002195 0.41748 14.1115
20 4QTU SAM 0.02536 0.41843 14.8148
21 3GDH SAH 0.01715 0.41906 15.3527
22 2VBF TPP 0.000000002035 0.41248 37.193
23 2NXW TPP 0.0000000006096 0.42892 38.0531
24 2C31 ADP 0.00003243 0.44991 40.493
25 2C31 TZD 0.00003544 0.44959 40.493
26 1ZPD DPX 0.000000002759 0.4106 41.0211
27 4KGD FAD 0.000006734 0.46855 43.4494
28 4KGD TDP 0.000006426 0.46826 43.4494
29 1V5F TPP 0.000708 0.43923 43.9728
30 1V5F FAD 0.000708 0.43923 43.9728
31 1OZH HE3 0.000005004 0.40448 44.6996
32 1UPA TPP 0.000000001028 0.40407 44.8517
33 2IHU TP9 0.0000000008671 0.44328 45.0262
34 2UZ1 TPP 0.00000000004331 0.80831 45.6483
35 3EYA FAD 0.00000001044 0.42493 45.9016
36 3EYA TDP 0.0000000002826 0.41161 45.9016
37 4RJK TPP 0.0000000001344 0.42162 48.5114
Pocket No.: 16; Query (leader) PDB : 1T9D; Ligand: 1MM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1t9d.bio1) has 77 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback