Receptor
PDB id Resolution Class Description Source Keywords
4U8I 2.05 Å EC: 5.4.99.9 STRUCTURE OF ASPERGILLUS FUMIGATUS UDP-GALACTOPYRANOSE MUTAS F66A ASPERGILLUS FUMIGATUS NUCLEOTIDE BINDING MUTASE FLAVIN ADENINE DINUCLEOTIDE BINDISOMERASE
Ref.: CONTRIBUTIONS OF UNIQUE ACTIVE SITE RESIDUES OF EUK UDP-GALACTOPYRANOSE MUTASES TO SUBSTRATE RECOGNITIO ACTIVE SITE DYNAMICS. BIOCHEMISTRY V. 53 7794 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:612;
D:607;
A:608;
C:610;
B:620;
B:616;
A:610;
A:614;
B:614;
A:609;
C:611;
B:618;
B:619;
C:608;
C:614;
A:611;
C:613;
D:606;
A:612;
B:615;
B:617;
D:608;
D:609;
C:609;
A:613;
A:607;
D:610;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
EDO B:603;
B:606;
B:604;
A:602;
B:613;
A:606;
B:602;
C:604;
A:604;
C:605;
B:611;
D:604;
A:605;
B:608;
C:606;
B:610;
B:609;
D:605;
C:603;
B:605;
B:612;
A:603;
D:603;
C:607;
D:602;
C:602;
B:607;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FDA A:601;
C:601;
D:601;
B:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
787.566 C27 H35 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U8P 2.05 Å EC: 5.4.99.9 STRUCTURE OF ASPERGILLUS FUMIGATUS UDP-GALACTOPYRANOSE MUTAS Y317A COMPLEXED WITH UDP ASPERGILLUS FUMIGATUS NUCLEOTIDE BINDING MUTASE FLAVIN ADENINE DINUCLEOTIDE BINDISOMERASE
Ref.: CONTRIBUTIONS OF UNIQUE ACTIVE SITE RESIDUES OF EUK UDP-GALACTOPYRANOSE MUTASES TO SUBSTRATE RECOGNITIO ACTIVE SITE DYNAMICS. BIOCHEMISTRY V. 53 7794 2014
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3UTH - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 4U8J - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
3 4U8P - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
4 3UTF - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
5 4U8L - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
6 3UTE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4U8M - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
8 3UKH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4WX1 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
10 4U8N - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 4U8O - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 3UTG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 4U8K - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
14 3UKF - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
15 5HHF - 62F C33 H45 N9 O20 P2 Cc1cc2c(cc....
16 4U8I - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
17 4GDE - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3UTH - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 4U8J - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
3 4U8P - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
4 3UTF - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
5 4U8L - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
6 3UTE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4U8M - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
8 3UKH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4WX1 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
10 4U8N - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 4U8O - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 3UTG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 4U8K - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
14 3UKF - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
15 5HHF - 62F C33 H45 N9 O20 P2 Cc1cc2c(cc....
16 4U8I - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
17 4GDE - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3UTH - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 4U8J - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
3 4U8P - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
4 3UTF - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
5 4U8L - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
6 3UTE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4U8M - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
8 3UKH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4WX1 - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
10 4U8N - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 4U8O - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 3UTG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 4U8K - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
14 3UKF - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
15 5HHF - 62F C33 H45 N9 O20 P2 Cc1cc2c(cc....
16 4U8I - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
17 4GDE - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
18 4DSG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
19 4DSH - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FDA; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 FDA 1 1
2 FNK 0.691781 0.965517
3 F2N 0.647436 0.976744
4 FAD 0.641892 0.906977
5 FAS 0.641892 0.906977
6 SFD 0.630872 0.787879
7 6FA 0.61745 0.896552
8 6YU 0.586207 0.903226
9 RFL 0.585987 0.876405
10 FAD NBT 0.584906 0.902174
11 FAY 0.579618 0.895349
12 CNV FAD 0.578616 0.954023
13 62F 0.573248 0.895349
14 FA9 0.554217 0.918605
15 FAD CNX 0.551515 0.873684
16 FAD NBA 0.549708 0.882979
17 P5F 0.545455 0.920455
18 FNR 0.532258 0.892857
19 A2D 0.516667 0.833333
20 APR 0.5 0.811765
21 AR6 0.5 0.811765
22 M33 0.496 0.823529
23 BA3 0.495935 0.833333
24 P6G FDA 0.494186 0.827957
25 DAL FAD PER 0.494118 0.865169
26 B4P 0.491935 0.833333
27 AP5 0.491935 0.833333
28 ANP 0.488372 0.813953
29 SAP 0.484375 0.795455
30 AGS 0.484375 0.795455
31 ATP 0.480315 0.833333
32 ADP 0.48 0.833333
33 48N 0.479167 0.818182
34 FB0 0.478261 0.819149
35 5FA 0.476562 0.833333
36 AQP 0.476562 0.833333
37 AN2 0.47619 0.823529
38 GTA 0.475524 0.831461
39 AD9 0.472868 0.813953
40 3OD 0.471014 0.835294
41 FAE 0.46988 0.896552
42 ATF 0.469697 0.804598
43 AP0 0.469388 0.860465
44 ACP 0.46875 0.835294
45 OAD 0.467153 0.835294
46 A1R 0.463235 0.827586
47 PAJ 0.463235 0.808989
48 G3A 0.461538 0.83908
49 T5A 0.46 0.896552
50 A22 0.459259 0.845238
51 G5P 0.458333 0.83908
52 ACQ 0.454545 0.835294
53 PRX 0.453846 0.793103
54 5AL 0.451128 0.823529
55 CA0 0.449612 0.813953
56 ADX 0.449612 0.741935
57 50T 0.446154 0.802326
58 8QN 0.445255 0.823529
59 ABM 0.444444 0.790698
60 A 0.443548 0.809524
61 AMP 0.443548 0.809524
62 OMR 0.442953 0.782609
63 TXE 0.442953 0.892857
64 ADQ 0.442029 0.813953
65 AMO 0.442029 0.825581
66 139 0.440789 0.862069
67 ADJ 0.440789 0.822222
68 ME8 0.439716 0.771739
69 BIS 0.439716 0.786517
70 TXA 0.439716 0.825581
71 PTJ 0.439716 0.818182
72 AFH 0.438356 0.788889
73 A4P 0.437086 0.876405
74 TXD 0.436242 0.870588
75 UP5 0.436242 0.880952
76 NXX 0.436242 0.825581
77 6V0 0.436242 0.882353
78 DND 0.436242 0.825581
79 5SV 0.434783 0.758242
80 SRP 0.433824 0.804598
81 4AD 0.431655 0.816092
82 P1H 0.430303 0.842697
83 FYA 0.429577 0.823529
84 AHX 0.428571 0.797753
85 SRA 0.428571 0.772727
86 P33 FDA 0.427778 0.821053
87 MAP 0.427536 0.795455
88 AU1 0.427481 0.813953
89 NAI 0.426667 0.870588
90 25L 0.426573 0.845238
91 A12 0.426357 0.825581
92 AP2 0.426357 0.825581
93 AMP MG 0.425197 0.75
94 EAD 0.423313 0.862069
95 COD 0.423077 0.806452
96 PR8 0.422535 0.8
97 TAT 0.422222 0.804598
98 4TC 0.421053 0.882353
99 APC 0.421053 0.825581
100 NB8 0.41958 0.797753
101 1ZZ 0.41958 0.771739
102 4UU 0.418919 0.837209
103 00A 0.41844 0.786517
104 RBY 0.41791 0.804598
105 ADV 0.41791 0.804598
106 A3D 0.417722 0.835294
107 NAX 0.417219 0.862069
108 ADP MG 0.416667 0.761364
109 25A 0.414286 0.833333
110 OOB 0.414286 0.823529
111 ADP BEF 0.413534 0.744444
112 BEF ADP 0.413534 0.744444
113 ANP MG 0.413043 0.755556
114 LAD 0.412587 0.788889
115 UPA 0.411765 0.870588
116 CNA 0.410256 0.825581
117 DLL 0.408451 0.823529
118 XAH 0.408163 0.771739
119 4UW 0.407895 0.829545
120 ADP PO3 0.407407 0.788235
121 3UK 0.405594 0.835294
122 4UV 0.405405 0.837209
123 TYM 0.405229 0.825581
124 NAD 0.405063 0.823529
125 ATP MG 0.404412 0.761364
126 9SN 0.40411 0.797753
127 ADP VO4 0.402878 0.781609
128 VO4 ADP 0.402878 0.781609
129 WAQ 0.402778 0.806818
130 FA5 0.401361 0.825581
131 YAP 0.401361 0.816092
132 YLP 0.401316 0.793478
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U8P; Ligand: FDA; 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: 4u8p.bio1) has 64 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4U8P; Ligand: FDA; 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: 4u8p.bio1) has 64 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4U8P; Ligand: UDP; 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: 4u8p.bio1) has 66 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4U8P; Ligand: UDP; 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: 4u8p.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4U8P; Ligand: UDP; Similar sites found: 197
This union binding pocket(no: 5) in the query (biounit: 4u8p.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TLJ SAH 0.01913 0.41405 1.34048
2 4Z24 FAD 0.000003826 0.40981 1.55945
3 4C3Y ANB 0.00001759 0.40247 1.55945
4 2RAB NAD 0.000005933 0.44391 1.72786
5 2RAB FAD 0.0000004825 0.43727 1.72786
6 3AYI HCI 0.00000005793 0.47832 1.75439
7 3AYI FAD 0.00000004946 0.47802 1.75439
8 3NTA FAD 0.000004573 0.40063 1.75439
9 3SJU NDP 0.007751 0.41507 1.79211
10 1CER NAD 0.001965 0.45068 1.81269
11 2XVF FAD 0.000001673 0.40333 1.93966
12 1E3I CXF 0.002203 0.42609 2.12766
13 1M2W NAD 0.009687 0.4278 2.14425
14 4MIG G3F 0.000004266 0.42183 2.14425
15 3OA2 NAD 0.0149 0.40739 2.20126
16 5BUK FAD 0.000002681 0.41823 2.22222
17 1FEC FAD 0.000009537 0.41128 2.2449
18 3VYW SAM 0.007384 0.43913 2.27273
19 3GFB NAD 0.002796 0.44118 2.28571
20 1GPE FAD 0.000002567 0.42029 2.33918
21 5BVA FAD 0.0000006897 0.43302 2.44499
22 4EIP K2C 0.0000005975 0.43811 2.53411
23 4EIP FAD 0.0000005975 0.43811 2.53411
24 3E1T FAD 0.000001518 0.4229 2.53906
25 3NYC FAD 0.000007003 0.42179 2.62467
26 3NYC IAR 0.000007003 0.42179 2.62467
27 2NPX FAD 0.000004862 0.52523 2.68456
28 2NPX NAD 0.00002628 0.44961 2.68456
29 1MO9 FAD 0.000008379 0.4505 2.72904
30 1MO9 KPC 0.000009535 0.44969 2.72904
31 3GDN HBX 0.00000631 0.42273 2.72904
32 4YNU LGC 0.000005103 0.42022 2.72904
33 4YNU FAD 0.000004517 0.41264 2.72904
34 3GDN FAD 0.000004482 0.40928 2.72904
35 4K5S PM0 0.001076 0.40385 2.72904
36 3ICT FAD 0.000002501 0.40217 2.72904
37 5J7X FAD 0.00000345 0.40212 2.72904
38 3ICR FAD 0.000002388 0.40199 2.72904
39 3ICS FAD 0.000003251 0.40146 2.72904
40 1NPD NAD 0.01406 0.41775 2.77778
41 2XVE FAD 0.00004353 0.41259 2.80172
42 4AG5 ADP 0.01572 0.45708 2.80612
43 3GDH SAH 0.01062 0.42331 2.90456
44 2GVC FAD 0.0000002963 0.40758 2.90828
45 2GV8 FAD 0.0000004522 0.40716 2.90828
46 1YY5 FAD 0.00000001171 0.47306 2.92398
47 1Q9I TEO 0.000001693 0.44503 2.92398
48 1Q9I FAD 0.000001693 0.44503 2.92398
49 4MOP 2H5 0.000005216 0.42568 2.92398
50 3OZ2 FAD 0.0000003512 0.43083 3.02267
51 1NAA ABL 0.00000459 0.42854 3.11891
52 1PS9 FAD 0.0000007259 0.42364 3.11891
53 1NAA 6FA 0.00000181 0.41919 3.11891
54 2WET FAD 0.0000063 0.4032 3.13112
55 1V59 FAD 0.0000005117 0.43779 3.13808
56 2Q0L FAD 0.0000004271 0.42774 3.21543
57 3OFK SAH 0.003392 0.45206 3.24074
58 2Y6Q I7T 0.0000007539 0.43419 3.26633
59 4DMG SAM 0.005258 0.46829 3.30789
60 2GMH FAD 0.0000003414 0.55378 3.31384
61 1PN0 IPH 0.000001993 0.43151 3.31384
62 1PN0 FAD 0.000002337 0.42751 3.31384
63 5EB4 FAD 0.000002232 0.41064 3.31384
64 4AP3 FAD 0.0001044 0.4026 3.31384
65 4AP3 NAP 0.0001044 0.4026 3.31384
66 1KNR FAD 0.000006939 0.40077 3.31384
67 5JCM NAD 0.0001464 0.40549 3.32594
68 5JCM FAD 0.0001459 0.40423 3.32594
69 5JCM ISD 0.0001676 0.4037 3.32594
70 2F5X ASP 0.02341 0.44499 3.52564
71 5U8U FAD 0.00001232 0.43384 3.5343
72 3ITJ FAD 0.000001799 0.43296 3.5503
73 1RPN NDP 0.0109 0.40684 3.58209
74 1D4D FAD 0.0000004768 0.4329 3.67133
75 2Q7V FAD 0.00000005979 0.44729 3.69231
76 3LAD FAD 0.0000004693 0.43307 3.78151
77 1YKJ FAD 0.00004218 0.41637 3.80711
78 1YKJ PHB 0.00004218 0.41637 3.80711
79 4JNA FAD 0.00000339 0.41249 3.82353
80 1FL2 FAD 0.0000004578 0.42288 3.87097
81 4FWE FAD 0.000000007056 0.47627 3.89447
82 4IV9 FAD 0.000000001135 0.48286 3.89864
83 3QVP FAD 0.000001427 0.42137 3.89864
84 5JE8 NAD 0.0004091 0.48414 3.97351
85 1JNR FAD 0.0000007195 0.47669 4
86 3ZNN 4WL 0.00002238 0.41859 4.03458
87 3ZNN FAD 0.00002238 0.41859 4.03458
88 3WGT QSC 0.00001973 0.40877 4.03458
89 3WGT FAD 0.0000188 0.40734 4.03458
90 5TTJ FAD 0.00000001643 0.45464 4.08163
91 1QO8 FAD 0.00000007169 0.44843 4.09357
92 2R4J 13P 0.000001724 0.43815 4.09357
93 2R4J FAD 0.000001724 0.43815 4.09357
94 4HA6 FAD 0.000001872 0.41843 4.13386
95 4UP3 FAD 0.0000007927 0.42177 4.14013
96 5FJN BE2 0.000006392 0.41018 4.16667
97 5FJN FAD 0.000006716 0.40336 4.16667
98 2WPF WPF 0.00007315 0.43373 4.24242
99 2WPF FAD 0.00009404 0.42886 4.24242
100 2A8X FAD 0.0000007245 0.43184 4.31034
101 3QFA FAD 0.000002259 0.41751 4.31034
102 1Y8Q ATP 0.0002647 0.49631 4.33526
103 1XHC FAD 0.000000684 0.40929 4.35967
104 5JCA NDP 0.00001096 0.43068 4.43038
105 5JCA FAD 0.000001012 0.42356 4.43038
106 1GET NAP 0.000002774 0.45572 4.44444
107 1GET FAD 0.000002675 0.4532 4.44444
108 2B9W FAD 0.00000001575 0.49608 4.48113
109 5HJM MTA 0.04281 0.4047 4.54545
110 5N53 8NB 0.02131 0.44939 4.61538
111 5VN0 FAD 0.00001858 0.4999 4.67836
112 1RSG FAD 0.000000005476 0.47325 4.67836
113 5VN0 NAI 0.000134 0.42638 4.67836
114 3UOY FAD 0.00009627 0.41235 4.67836
115 3UOY NAP 0.00009627 0.41235 4.67836
116 3GD4 NAD 0.000116 0.41601 4.69667
117 3GD4 FAD 0.00007992 0.40341 4.69667
118 4YRY NAD 0.000004542 0.42933 4.70085
119 4YRY FAD 0.00000135 0.42108 4.70085
120 1E1M FAD 0.000004063 0.43033 4.78261
121 1E1M NAP 0.000004063 0.43033 4.78261
122 4K28 NAD 0.001173 0.46368 4.83271
123 3RNM FAD 0.0000003334 0.43775 4.84848
124 4OPC PGT 0.000001592 0.48564 4.85651
125 4OPC FDA 0.000001157 0.485 4.85651
126 1REO FAD 0.0004702 0.4049 4.93827
127 3LU1 NAD 0.007517 0.41785 4.94506
128 2HQM FAD 0.0000002355 0.43926 5.01044
129 1ZMD FAD 0.0000003857 0.43552 5.06329
130 2F5Z FAD 0.0000004382 0.43517 5.06329
131 5EVY FAD 0.001093 0.4717 5.06823
132 2E5V FAD 0.000001313 0.42188 5.08475
133 4M52 FAD 0.0000009245 0.4256 5.15021
134 1GTE FAD 0.00003562 0.41652 5.26316
135 4D04 FAD 0.00009671 0.40618 5.26316
136 4D04 NAP 0.00009671 0.40618 5.26316
137 2VDV SAM 0.01402 0.44161 5.28455
138 1H82 GZZ 0.00000004163 0.4948 5.29661
139 1H82 FAD 0.00000002413 0.49108 5.29661
140 4J36 1HR 0.000001017 0.42522 5.3012
141 4J36 FAD 0.0000004499 0.403 5.3012
142 4NTC FAD 0.000001198 0.42012 5.37313
143 2I3G NAP 0.006229 0.41902 5.39773
144 4DPL NAP 0.006451 0.42065 5.57103
145 2CUL FAD 0.0000009101 0.40539 5.60345
146 2IVD FAD 0.000000001054 0.67031 5.64854
147 4X9M FAD 0.000003286 0.40621 5.74163
148 4REP FAD 0.00000008913 0.44077 5.85859
149 5TUF FAD 0.00001758 0.52102 6.11247
150 5TUF TDC 0.00009847 0.43039 6.11247
151 4YCA NDP 0.0008378 0.467 6.12245
152 2Z3Y F2N 0.000000004652 0.47903 6.23782
153 5MZI FYK 0.00001046 0.43018 6.29067
154 5MZI FAD 0.000009189 0.42988 6.29067
155 4TM3 FAD 0.0002848 0.4012 6.32054
156 4EMI NAD 0.00003416 0.41619 6.34146
157 5ODQ FAD 0.000001269 0.42314 6.42857
158 3AD8 NAD 0.0000000275 0.43167 6.43275
159 3F8D FAD 0.000002961 0.45723 6.50155
160 2DT5 NAD 0.0002595 0.48262 6.63507
161 5MBX SP5 0.000000009005 0.49934 6.63984
162 5MBX FAD 0.000000009005 0.49934 6.63984
163 4QTU SAM 0.002809 0.46273 6.66667
164 3SQP FAD 0.00005582 0.45905 6.69456
165 3NKS FAD 0.000000022 0.44731 6.7086
166 4YSX FAD 0.0000004304 0.42557 6.73759
167 5J60 FAD 0.00000009379 0.43854 6.875
168 5EZ7 FAD 0.000004385 0.40282 7.14286
169 2JB2 PHE 0.000000001521 0.47955 7.36196
170 2JB2 FAD 0.000000001229 0.47805 7.36196
171 3EGV SAH 0.00102 0.49245 7.48031
172 1BZL FAD 0.0002923 0.41529 8.02469
173 2VVL FAD 0.00000001203 0.46381 8.28283
174 2VVM FAD 0.00000001525 0.45785 8.28283
175 3CTY FAD 0.00000008326 0.45522 8.77743
176 5TS5 FAD 0.000000001624 0.63783 8.8843
177 4CNK FAD 0.0000006572 0.41522 8.95141
178 4GUT FAD 0.000000006466 0.48574 9.67742
179 4GUS FAD 0.000000008081 0.47827 9.67742
180 4HSU FAD 0.000000009389 0.47569 9.67742
181 3AB1 FAD 0.0000003962 0.42521 9.72222
182 4JDR FAD 0.000001582 0.41637 10.7595
183 3QJ4 FAD 0.000000002445 0.64589 10.8187
184 2IID FAD 0.000000005548 0.50571 10.8434
185 2IID PHE 0.000000005548 0.50571 10.8434
186 1Q1R FAD 0.00001154 0.51091 10.9049
187 4J56 FAD 0.0000003294 0.43986 12.2807
188 1E6E FAD 0.0000005602 0.4138 12.5
189 3CGD FAD 0.0002937 0.40691 12.7083
190 3CGD COA 0.0002937 0.40691 12.7083
191 3CGD NAD 0.0002937 0.40691 12.7083
192 2GAG NAD 0.0000001156 0.42887 15.1515
193 2YG3 FAD 0.000000006731 0.46803 15.6733
194 5G3U ITW 0.00000002768 0.46464 21.513
195 5G3U FDA 0.000000008471 0.45696 21.513
196 4ZCC NAI 0.00000001776 0.48603 23.2143
197 4ZCC FAD 0.00000001776 0.48603 23.2143
Pocket No.: 6; Query (leader) PDB : 4U8P; Ligand: FDA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4u8p.bio1) has 64 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4U8P; Ligand: UDP; 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: 4u8p.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4U8P; Ligand: FDA; Similar sites found: 216
This union binding pocket(no: 8) in the query (biounit: 4u8p.bio1) has 65 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TLJ SAH 0.01808 0.41405 1.34048
2 4Z24 FAD 0.000003408 0.41572 1.55945
3 4C3Y ANB 0.00001666 0.40803 1.55945
4 4C3Y FAD 0.000007394 0.40543 1.55945
5 2RAB NAD 0.000004465 0.45232 1.72786
6 2RAB FAD 0.0000004241 0.44386 1.72786
7 3AYI HCI 0.00000006075 0.48349 1.75439
8 3AYI FAD 0.00000005206 0.48315 1.75439
9 3NTA FAD 0.000004101 0.40621 1.75439
10 3SJU NDP 0.007248 0.41507 1.79211
11 1CER NAD 0.001834 0.45068 1.81269
12 2XVF FAD 0.000001496 0.40922 1.93966
13 1N4W FAD 0.00001658 0.40249 1.98413
14 1E3I CXF 0.002173 0.42502 2.12766
15 4MIG G3F 0.00000377 0.42802 2.14425
16 1M2W NAD 0.00913 0.4278 2.14425
17 3OA2 NAD 0.014 0.40739 2.20126
18 5BUK FAD 0.000002377 0.42435 2.22222
19 1FEC FAD 0.000008487 0.41699 2.2449
20 3VYW SAM 0.006966 0.43913 2.27273
21 3GFB NAD 0.002611 0.44118 2.28571
22 1GPE FAD 0.000002272 0.42652 2.33918
23 3NTD FAD 0.000004631 0.4052 2.33918
24 4TXI FAD 0.0000006879 0.40183 2.33918
25 2BRY FAD 0.0000008767 0.40297 2.41449
26 5BVA FAD 0.0000006074 0.43953 2.44499
27 4EIP K2C 0.0000004912 0.44555 2.53411
28 4EIP FAD 0.0000004912 0.44555 2.53411
29 3E1T FAD 0.000001344 0.42908 2.53906
30 3NYC FAD 0.000006285 0.42745 2.62467
31 3NYC IAR 0.000006285 0.42745 2.62467
32 2NPX FAD 0.000004368 0.52523 2.68456
33 2NPX NAD 0.00002356 0.4494 2.68456
34 1MO9 KPC 0.000006285 0.45867 2.72904
35 1MO9 FAD 0.00000635 0.45778 2.72904
36 3GDN HBX 0.00000557 0.42879 2.72904
37 4YNU LGC 0.000004513 0.42632 2.72904
38 4YNU FAD 0.000004016 0.41862 2.72904
39 3GDN FAD 0.000003996 0.41511 2.72904
40 5J7X FAD 0.000003044 0.40863 2.72904
41 4K5S PM0 0.0009136 0.4086 2.72904
42 3ICT FAD 0.00000224 0.4079 2.72904
43 3ICR FAD 0.000002139 0.40773 2.72904
44 3ICS FAD 0.000002911 0.40716 2.72904
45 1NPD NAD 0.01325 0.41775 2.77778
46 2XVE FAD 0.00003841 0.41864 2.80172
47 4AG5 ADP 0.01503 0.45708 2.80612
48 1VQW FAD 0.00000085 0.40346 2.84464
49 3GDH SAH 0.01001 0.42331 2.90456
50 2GVC FAD 0.0000002645 0.41363 2.90828
51 2GV8 FAD 0.0000004037 0.41318 2.90828
52 1YY5 FAD 0.00000001011 0.48079 2.92398
53 1Q9I TEO 0.000001472 0.45188 2.92398
54 1Q9I FAD 0.000001472 0.45188 2.92398
55 4MOP 2H5 0.000004593 0.43194 2.92398
56 3IHG FAD 0.0000002777 0.40169 2.92398
57 3OZ2 FAD 0.0000003102 0.43724 3.02267
58 1NAA ABL 0.000004033 0.43492 3.11891
59 1PS9 FAD 0.0000006424 0.43001 3.11891
60 1NAA 6FA 0.000001604 0.42542 3.11891
61 2WET FAD 0.000005286 0.40949 3.13112
62 1V59 FAD 0.0000004492 0.44448 3.13808
63 2Q0L FAD 0.0000003788 0.43415 3.21543
64 3OFK SAH 0.003187 0.45206 3.24074
65 2Y6Q I7T 0.0000006621 0.44087 3.26633
66 4DMG SAM 0.004986 0.46829 3.30789
67 2GMH FAD 0.000000301 0.55378 3.31384
68 1PN0 IPH 0.000004338 0.42819 3.31384
69 1PN0 FAD 0.000004927 0.42381 3.31384
70 5EB4 FAD 0.000001989 0.41655 3.31384
71 4AP3 FAD 0.00009258 0.40837 3.31384
72 4AP3 NAP 0.00009258 0.40837 3.31384
73 1KNR FAD 0.000006217 0.40634 3.31384
74 5JCM NAD 0.0001363 0.41034 3.32594
75 5JCM FAD 0.0001292 0.40967 3.32594
76 5JCM ISD 0.0001543 0.40883 3.32594
77 2F5X ASP 0.02239 0.44499 3.52564
78 5U8U FAD 0.00001184 0.43918 3.5343
79 3ITJ FAD 0.00000158 0.43949 3.5503
80 1RPN NDP 0.0102 0.40684 3.58209
81 1D4D FAD 0.0000004198 0.43949 3.67133
82 2Q7V FAD 0.00000005227 0.45444 3.69231
83 3LAD FAD 0.0000004138 0.43954 3.78151
84 1YKJ FAD 0.00003981 0.42162 3.80711
85 1YKJ PHB 0.00003981 0.42162 3.80711
86 4JNA FAD 0.000003018 0.41824 3.82353
87 1FL2 FAD 0.0000004055 0.42889 3.87097
88 4FWE FAD 0.000000006084 0.48415 3.89447
89 4IV9 FAD 0.0000000009756 0.4911 3.89864
90 3QVP FAD 0.000001263 0.42766 3.89864
91 5JE8 NAD 0.00038 0.48414 3.97351
92 1JNR FAD 0.0000006316 0.48276 4
93 3ZNN 4WL 0.00002202 0.42317 4.03458
94 3ZNN FAD 0.00002202 0.42317 4.03458
95 3WGT QSC 0.00001758 0.41424 4.03458
96 3WGT FAD 0.00001676 0.41279 4.03458
97 5TTJ FAD 0.00000001433 0.46201 4.08163
98 1QO8 FAD 0.00000006263 0.45559 4.09357
99 2R4J 13P 0.000001509 0.44524 4.09357
100 2R4J FAD 0.000001509 0.44524 4.09357
101 4HA6 FAD 0.000001659 0.42466 4.13386
102 4UP3 FAD 0.0000006826 0.428 4.14013
103 5FJN BE2 0.000005685 0.417 4.16667
104 5FJN FAD 0.000006 0.40911 4.16667
105 2V3A FAD 0.000003859 0.40343 4.16667
106 2WPF WPF 0.00006047 0.43947 4.24242
107 2WPF FAD 0.00007538 0.43491 4.24242
108 2A8X FAD 0.0000006392 0.43819 4.31034
109 3QFA FAD 0.000002008 0.42352 4.31034
110 1Y8Q ATP 0.0002457 0.49631 4.33526
111 1XHC FAD 0.0000006099 0.41535 4.35967
112 5JCA NDP 0.00001006 0.43652 4.43038
113 5JCA FAD 0.000000854 0.43048 4.43038
114 1GET NAP 0.000002279 0.46272 4.44444
115 1GET FAD 0.000002049 0.46158 4.44444
116 2B9W FAD 0.00000001386 0.50387 4.48113
117 5HJM MTA 0.04073 0.4047 4.54545
118 5N53 8NB 0.0204 0.44939 4.61538
119 5VN0 FAD 0.00001678 0.4999 4.67836
120 1RSG FAD 0.000000004724 0.48124 4.67836
121 5VN0 NAI 0.0001288 0.42538 4.67836
122 3UOY NAP 0.00008465 0.41853 4.67836
123 3UOY FAD 0.00008465 0.41853 4.67836
124 3GD4 NAD 0.00009576 0.42154 4.69667
125 3GD4 FAD 0.00008269 0.40706 4.69667
126 4YRY NAD 0.00000399 0.43558 4.70085
127 4YRY FAD 0.000001197 0.42728 4.70085
128 1E1M FAD 0.000003568 0.43669 4.78261
129 1E1M NAP 0.000003568 0.43669 4.78261
130 4K28 NAD 0.001094 0.46368 4.83271
131 3RNM FAD 0.000000293 0.44443 4.84848
132 4OPC PGT 0.000001734 0.48881 4.85651
133 4OPC FDA 0.000001299 0.48788 4.85651
134 1REO FAD 0.0003671 0.41082 4.93827
135 3LU1 NAD 0.007035 0.41785 4.94506
136 2HQM FAD 0.000000207 0.44598 5.01044
137 1ZMD FAD 0.0000003355 0.44224 5.06329
138 2F5Z FAD 0.0000003857 0.44177 5.06329
139 5EVY FAD 0.00097 0.47272 5.06823
140 2E5V FAD 0.000001162 0.42822 5.08475
141 4M52 FAD 0.0000008178 0.43191 5.15021
142 1GTE FAD 0.00003139 0.42206 5.26316
143 4D04 FAD 0.00008551 0.41221 5.26316
144 4D04 NAP 0.00008551 0.41221 5.26316
145 2VDV SAM 0.01333 0.44161 5.28455
146 1H82 GZZ 0.00000004836 0.4991 5.29661
147 1H82 FAD 0.00000002933 0.49486 5.29661
148 4J36 1HR 0.000001265 0.42713 5.3012
149 4J36 FAD 0.0000004085 0.4085 5.3012
150 4NTC FAD 0.000001063 0.42629 5.37313
151 2I3G NAP 0.006125 0.4181 5.39773
152 4DPL NAP 0.006034 0.42065 5.57103
153 2CUL FAD 0.0000008139 0.41127 5.60345
154 2IVD FAD 0.0000000009126 0.67031 5.64854
155 4X9M FAD 0.000002933 0.41202 5.74163
156 4REP FAD 0.00000007835 0.44757 5.85859
157 1O94 ADP 0.00000002354 0.40348 6.06061
158 5TUF FAD 0.00001599 0.52102 6.11247
159 5TUF TDC 0.0000895 0.43009 6.11247
160 4YCA NDP 0.0007795 0.467 6.12245
161 2Z3Y F2N 0.000000004002 0.4871 6.23782
162 2RGO FAD 0.0000031 0.4035 6.23782
163 5MZI FAD 0.000008481 0.43544 6.29067
164 5MZI FYK 0.000009991 0.43506 6.29067
165 4TM3 FAD 0.0002195 0.40786 6.32054
166 4EMI NAD 0.00002994 0.42221 6.34146
167 4EMI FAD 0.000005118 0.40143 6.34146
168 5ODQ FAD 0.000001125 0.42931 6.42857
169 3AD8 NAD 0.00000002425 0.4385 6.43275
170 3AD8 PYC 0.0002553 0.40399 6.43275
171 3AD8 FAD 0.0002553 0.40399 6.43275
172 3F8D FAD 0.000002174 0.46509 6.50155
173 1IK4 PGH 0.04857 0.41488 6.57895
174 2DT5 NAD 0.0002398 0.48262 6.63507
175 5MBX FAD 0.000000008686 0.50613 6.63984
176 5MBX SP5 0.000000008686 0.50613 6.63984
177 4QTU SAM 0.002643 0.46273 6.66667
178 3SQP FAD 0.00004377 0.46578 6.69456
179 3NKS FAD 0.00000001928 0.4544 6.7086
180 4YSX FAD 0.0000003781 0.43243 6.73759
181 5J60 FAD 0.00000008069 0.4455 6.875
182 5EZ7 FAD 0.000003926 0.40847 7.14286
183 2JB2 PHE 0.000000001309 0.48774 7.36196
184 2JB2 FAD 0.000000001059 0.48622 7.36196
185 3EGV SAH 0.0009589 0.49245 7.48031
186 3UCL NAP 0.0003378 0.40269 7.60234
187 3UCL FAD 0.0002514 0.40269 7.60234
188 3UCL CYH 0.0002514 0.40269 7.60234
189 1BZL FAD 0.0002266 0.42149 8.02469
190 2VVL FAD 0.00000001044 0.47138 8.28283
191 2VVM FAD 0.00000001327 0.46533 8.28283
192 3CTY FAD 0.00000007254 0.46236 8.77743
193 5TS5 FAD 0.000000001395 0.63783 8.8843
194 4CNK FAD 0.0000005841 0.42144 8.95141
195 4GUT FAD 0.000000005541 0.49387 9.67742
196 4GUS FAD 0.000000006959 0.48618 9.67742
197 4HSU FAD 0.000000008091 0.48359 9.67742
198 3AB1 FAD 0.0000003502 0.43174 9.72222
199 4JDR FAD 0.000001406 0.42241 10.7595
200 3QJ4 FAD 0.000000002117 0.64589 10.8187
201 2IID FAD 0.00000000529 0.51302 10.8434
202 2IID PHE 0.00000000529 0.51302 10.8434
203 1Q1R FAD 0.00001041 0.51091 10.9049
204 4J56 FAD 0.000000289 0.44659 12.2807
205 1E6E FAD 0.0000004991 0.41985 12.5
206 3CGD COA 0.0002231 0.41324 12.7083
207 3CGD FAD 0.0002231 0.41324 12.7083
208 3CGD NAD 0.0002231 0.41324 12.7083
209 2GAG NAD 0.0000001021 0.43554 15.1515
210 2GAG FAD 0.00001863 0.40513 15.1515
211 2GAG FOA 0.00002777 0.40055 15.1515
212 2YG3 FAD 0.000000005834 0.47572 15.6733
213 5G3U ITW 0.00000002492 0.47167 21.513
214 5G3U FDA 0.000000007377 0.46445 21.513
215 4ZCC FAD 0.00000001629 0.49306 23.2143
216 4ZCC NAI 0.00000001629 0.49306 23.2143
Pocket No.: 9; Query (leader) PDB : 4U8P; Ligand: UDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4u8p.bio1) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4U8P; Ligand: UDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4u8p.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4U8P; Ligand: UDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4u8p.bio1) has 64 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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