Receptor
PDB id Resolution Class Description Source Keywords
4MO2 2 Å EC: 5.4.99.9 CRYSTAL STRUCTURE OF UDP-N-ACETYLGALACTOPYRANOSE MUTASE FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI SUBSP. JEJUNI UDP-N-ACETYLGALACTOPYRANOSE MUTASE UNGM CAPSULAR POLYSACCHBIFUNCTIONAL DRUG TARGET FAD ISOMERASE
Ref.: SPECIFICITY OF A UDP-GALNAC PYRANOSE-FURANOSE MUTAS POTENTIAL THERAPEUTIC TARGET FOR CAMPYLOBACTER JEJU INFECTIONS. CHEMBIOCHEM V. 15 47 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NH4 A:404;
A:403;
Invalid;
Invalid;
none;
none;
submit data
18.038 H4 N [NH4+...
GOL A:401;
B:403;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:402;
B:401;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
FAD A:405;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FDA B:402;
Valid;
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
4MO2 2 Å EC: 5.4.99.9 CRYSTAL STRUCTURE OF UDP-N-ACETYLGALACTOPYRANOSE MUTASE FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI SUBSP. JEJUNI UDP-N-ACETYLGALACTOPYRANOSE MUTASE UNGM CAPSULAR POLYSACCHBIFUNCTIONAL DRUG TARGET FAD ISOMERASE
Ref.: SPECIFICITY OF A UDP-GALNAC PYRANOSE-FURANOSE MUTAS POTENTIAL THERAPEUTIC TARGET FOR CAMPYLOBACTER JEJU INFECTIONS. CHEMBIOCHEM V. 15 47 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4MO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1I8T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4MO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1V0J - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4RPL - 3UC C15 H20 F4 N2 O15 P2 C1=CN(C(=O....
3 4RPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4RPG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1I8T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4MO2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5EQF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5BR7 - FLC C6 H5 O7 C(C(=O)[O-....
9 3HE3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 3HDQ Kd = 220 uM GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
11 3HDY Kd = 66 uM GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1WAM - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 2BI8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 3INR - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
15 3GF4 Kd = 750 uM UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
16 2BI7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: FDA; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 FDA 1 1
2 FNK 0.691781 0.965517
3 F2N 0.647436 0.976744
4 FAS 0.641892 0.906977
5 FAD 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 62F 0.573248 0.895349
13 FA9 0.554217 0.918605
14 FAD CNX 0.551515 0.873684
15 P5F 0.545455 0.920455
16 FNR 0.532258 0.892857
17 FAD NBA 0.526012 0.873684
18 A2D 0.516667 0.833333
19 AR6 0.5 0.811765
20 APR 0.5 0.811765
21 M33 0.496 0.823529
22 BA3 0.495935 0.833333
23 P6G FDA 0.494186 0.827957
24 B4P 0.491935 0.833333
25 AP5 0.491935 0.833333
26 ANP 0.488372 0.813953
27 AGS 0.484375 0.795455
28 SAP 0.484375 0.795455
29 HEJ 0.480315 0.833333
30 ATP 0.480315 0.833333
31 ADP 0.48 0.833333
32 48N 0.479167 0.818182
33 FB0 0.478261 0.819149
34 AQP 0.476562 0.833333
35 5FA 0.476562 0.833333
36 AT4 0.47619 0.804598
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 9X8 0.467153 0.795455
47 PAJ 0.463235 0.808989
48 A1R 0.463235 0.827586
49 A3R 0.463235 0.827586
50 G3A 0.461538 0.83908
51 T5A 0.46 0.896552
52 A22 0.459259 0.845238
53 G5P 0.458333 0.83908
54 6YZ 0.455224 0.835294
55 DQV 0.455172 0.845238
56 ACQ 0.454545 0.835294
57 PRX 0.453846 0.793103
58 5AL 0.451128 0.823529
59 ADX 0.449612 0.741935
60 CA0 0.449612 0.813953
61 50T 0.446154 0.802326
62 8QN 0.445255 0.823529
63 ABM 0.444444 0.790698
64 A 0.443548 0.809524
65 AMP 0.443548 0.809524
66 TXE 0.442953 0.892857
67 OMR 0.442953 0.782609
68 ADQ 0.442029 0.813953
69 AMO 0.442029 0.825581
70 ADJ 0.440789 0.822222
71 139 0.440789 0.862069
72 B5M 0.440559 0.837209
73 BIS 0.439716 0.786517
74 PTJ 0.439716 0.818182
75 ME8 0.439716 0.771739
76 TXA 0.439716 0.825581
77 AFH 0.438356 0.788889
78 A4P 0.437086 0.876405
79 6V0 0.436242 0.882353
80 UP5 0.436242 0.880952
81 TXD 0.436242 0.870588
82 DND 0.436242 0.825581
83 NXX 0.436242 0.825581
84 5SV 0.434783 0.758242
85 SRP 0.433824 0.804598
86 4AD 0.431655 0.816092
87 B5Y 0.430556 0.837209
88 P1H 0.430303 0.842697
89 FYA 0.429577 0.823529
90 AHX 0.428571 0.797753
91 SRA 0.428571 0.772727
92 P33 FDA 0.427778 0.821053
93 MAP 0.427536 0.795455
94 AU1 0.427481 0.813953
95 NAI 0.426667 0.870588
96 25L 0.426573 0.845238
97 AP2 0.426357 0.825581
98 A12 0.426357 0.825581
99 CNV FAD 0.426136 0.876405
100 EAD 0.423313 0.862069
101 COD 0.423077 0.806452
102 PR8 0.422535 0.8
103 T99 0.422222 0.804598
104 TAT 0.422222 0.804598
105 APC 0.421053 0.825581
106 4TC 0.421053 0.882353
107 NB8 0.41958 0.797753
108 1ZZ 0.41958 0.771739
109 4UU 0.418919 0.837209
110 GA7 0.418919 0.825581
111 00A 0.41844 0.786517
112 ADV 0.41791 0.804598
113 RBY 0.41791 0.804598
114 A3D 0.417722 0.835294
115 NAX 0.417219 0.862069
116 OOB 0.414286 0.823529
117 25A 0.414286 0.833333
118 LAD 0.412587 0.788889
119 UPA 0.411765 0.870588
120 CNA 0.410256 0.825581
121 80F 0.408805 0.833333
122 DLL 0.408451 0.823529
123 XAH 0.408163 0.771739
124 4UW 0.407895 0.829545
125 F2R 0.407643 0.793478
126 ADP PO3 0.407407 0.788235
127 DAL AMP 0.407143 0.802326
128 3UK 0.405594 0.835294
129 4UV 0.405405 0.837209
130 TYM 0.405229 0.825581
131 NAD 0.405063 0.823529
132 9ZD 0.404255 0.827586
133 9ZA 0.404255 0.827586
134 9SN 0.40411 0.797753
135 VO4 ADP 0.402878 0.781609
136 ADP VO4 0.402878 0.781609
137 WAQ 0.402778 0.806818
138 B5V 0.402778 0.825581
139 YAP 0.401361 0.816092
140 FA5 0.401361 0.825581
141 YLP 0.401316 0.793478
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MO2; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4mo2.bio2) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4MO2; Ligand: FDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4mo2.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4MO2; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4mo2.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4MO2; Ligand: FDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4mo2.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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