Receptor
PDB id Resolution Class Description Source Keywords
4XXH 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TREHALOSE REPRESSOR FROM ESCHERICHIA COLI ESCHERICHIA COLI K-12 LACI FAMILY PHOSPHATE BINDING PROTEIN STRUCTURE TREHALOSEREPRESSOR GENE REGULATION
Ref.: CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF TREHALOSE-REPRESSOR OF ESCHERICHIA COLI, A MEMBER O LACI FAMILY, IN ITS COMPLEXES WITH INDUCER TREHALOSE-6-PHOSPHATE AND NONINDUCER TREHALOSE. PROTEIN SCI. V. 7 2511 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
T6P A:401;
B:401;
Valid;
Valid;
none;
none;
Kd = 10 uM
422.276 C12 H23 O14 P C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XXH 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TREHALOSE REPRESSOR FROM ESCHERICHIA COLI ESCHERICHIA COLI K-12 LACI FAMILY PHOSPHATE BINDING PROTEIN STRUCTURE TREHALOSEREPRESSOR GENE REGULATION
Ref.: CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF TREHALOSE-REPRESSOR OF ESCHERICHIA COLI, A MEMBER O LACI FAMILY, IN ITS COMPLEXES WITH INDUCER TREHALOSE-6-PHOSPHATE AND NONINDUCER TREHALOSE. PROTEIN SCI. V. 7 2511 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 4XXH Kd = 10 uM T6P C12 H23 O14 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 4XXH Kd = 10 uM T6P C12 H23 O14 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 4XXH Kd = 10 uM T6P C12 H23 O14 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: T6P; Similar ligands found: 166
No: Ligand ECFP6 Tc MDL keys Tc
1 T6P 1 1
2 TRE 0.666667 0.767442
3 P3M 0.616667 1
4 G16 0.588235 0.866667
5 4RS 0.559322 0.66
6 LAT GLA 0.528302 0.767442
7 PPC 0.527273 0.791667
8 G1P 0.5 0.930233
9 XGP 0.5 0.930233
10 AHG 0.5 0.765957
11 GL1 0.5 0.930233
12 M1P 0.5 0.930233
13 PRP 0.5 0.804348
14 SUP 0.5 0.913043
15 M3M 0.490909 0.767442
16 MAN GLC 0.490909 0.767442
17 LB2 0.490909 0.767442
18 MVP 0.47541 0.955556
19 2M4 0.472727 0.767442
20 BGC BGC 0.472727 0.767442
21 MAN MAN 0.472727 0.767442
22 M6D 0.470588 0.906977
23 A6P 0.470588 0.906977
24 BG6 0.470588 0.906977
25 G6P 0.470588 0.906977
26 M6P 0.470588 0.906977
27 BGP 0.470588 0.906977
28 ABF 0.469388 0.822222
29 HSX 0.469388 0.822222
30 RP5 0.469388 0.822222
31 M6P MAN MAN 0.463768 0.931818
32 GAL FUC 0.457627 0.727273
33 GRF 0.45098 0.642857
34 GLC BGC BGC BGC BGC BGC BGC 0.45 0.767442
35 BGC BGC BGC GLC BGC BGC 0.45 0.767442
36 BGC BGC BGC 0.45 0.767442
37 GLC BGC BGC BGC 0.45 0.767442
38 BGC BGC BGC BGC BGC 0.45 0.767442
39 BGC BGC BGC ASO BGC BGC ASO 0.45 0.767442
40 MDM 0.448276 0.733333
41 M13 0.448276 0.733333
42 GAL MBG 0.448276 0.733333
43 GLA MBG 0.446429 0.733333
44 R1P 0.44 0.844444
45 GLC GLC GLC GLC 0.439394 0.767442
46 MAB 0.438596 0.767442
47 GLC BGC 0.438596 0.767442
48 CBI 0.438596 0.767442
49 GLA GAL 0.438596 0.767442
50 BGC BMA 0.438596 0.767442
51 BMA BMA 0.438596 0.767442
52 GLC GAL 0.438596 0.767442
53 BGC GLC 0.438596 0.767442
54 LBT 0.438596 0.767442
55 LAT 0.438596 0.767442
56 CBK 0.438596 0.767442
57 MAL MAL 0.438596 0.75
58 BMA GAL 0.438596 0.767442
59 GAL BGC 0.438596 0.767442
60 MAL 0.438596 0.767442
61 GLA GLA 0.438596 0.767442
62 BGC GAL 0.438596 0.767442
63 B2G 0.438596 0.767442
64 N9S 0.438596 0.767442
65 GAL GLC 0.438596 0.767442
66 A2G GAL 0.4375 0.6
67 GAL A2G 0.4375 0.6
68 GAL NGA 0.4375 0.6
69 TRE 6X6 0.434211 0.693878
70 BMA BMA MAN 0.433333 0.75
71 CGC 0.428571 0.727273
72 BGC BGC GLC 0.428571 0.767442
73 FDQ 0.425926 0.75
74 GAL GAL SO4 0.424242 0.764706
75 MMA MAN 0.423729 0.733333
76 DR5 0.423729 0.733333
77 BMA MAN MAN 0.421875 0.767442
78 MMA 0.42 0.666667
79 MBG 0.42 0.666667
80 GYP 0.42 0.666667
81 AMG 0.42 0.666667
82 MAL EDO 0.419355 0.733333
83 D6G 0.418182 0.866667
84 MAN MMA MAN 0.41791 0.733333
85 MAN 7D1 0.416667 0.695652
86 16G 0.416667 0.696429
87 BMX 0.416667 0.696429
88 DOM 0.416667 0.733333
89 4QY 0.416667 0.696429
90 BMA MAN 0.416667 0.711111
91 GAL NDG 0.415385 0.6
92 NLC 0.415385 0.6
93 NDG GAL 0.415385 0.6
94 RF5 0.415094 0.734694
95 50A 0.415094 0.734694
96 GLP 0.410714 0.764706
97 4R1 0.410714 0.764706
98 U63 0.409836 0.702128
99 GLC BGC BGC 0.409836 0.767442
100 CEY 0.409836 0.767442
101 GLC GLC GLC GLC GLC 0.409836 0.767442
102 BGC GLC GLC 0.409836 0.767442
103 DXI 0.409836 0.767442
104 GLC GAL GAL 0.409836 0.767442
105 BGC GLC GLC GLC GLC 0.409836 0.767442
106 MAN MAN BMA BMA BMA BMA 0.409836 0.767442
107 MLR 0.409836 0.767442
108 GLC BGC BGC BGC BGC BGC 0.409836 0.767442
109 MAN BMA BMA BMA BMA 0.409836 0.767442
110 BMA BMA BMA 0.409836 0.767442
111 CTR 0.409836 0.767442
112 GLC GLC GLC GLC GLC GLC GLC GLC 0.409836 0.767442
113 GLC GLC GLC GLC GLC GLC GLC 0.409836 0.767442
114 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.409836 0.767442
115 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.409836 0.767442
116 BGC BGC BGC BGC BGC BGC 0.409836 0.767442
117 CE6 0.409836 0.767442
118 GLA GAL GLC 0.409836 0.767442
119 CE5 0.409836 0.767442
120 BGC BGC BGC GLC 0.409836 0.767442
121 BGC GLC GLC GLC 0.409836 0.767442
122 CE8 0.409836 0.767442
123 MAN BMA BMA 0.409836 0.767442
124 GLC BGC GLC 0.409836 0.767442
125 GLC GLC BGC GLC GLC GLC GLC 0.409836 0.767442
126 CT3 0.409836 0.767442
127 GLC GLC BGC 0.409836 0.767442
128 BMA BMA BMA BMA BMA 0.409836 0.767442
129 B4G 0.409836 0.767442
130 GAL GAL GAL 0.409836 0.767442
131 CEX 0.409836 0.767442
132 GLC BGC BGC BGC BGC 0.409836 0.767442
133 BMA BMA BMA BMA BMA BMA 0.409836 0.767442
134 MT7 0.409836 0.767442
135 MTT 0.409836 0.767442
136 BMA MAN BMA 0.409836 0.767442
137 BGC GLC GLC GLC GLC GLC GLC 0.409836 0.767442
138 CTT 0.409836 0.767442
139 GAL GAL 0.40678 0.767442
140 MLB 0.40678 0.767442
141 GLA GLC 0.40678 0.767442
142 MAN BMA 0.40678 0.767442
143 GLA BGC 0.40678 0.767442
144 BMA GLA 0.40678 0.767442
145 BGC GLA 0.40678 0.767442
146 LAK 0.40678 0.767442
147 GLA BMA 0.40678 0.767442
148 GLC 7LQ 0.40625 0.727273
149 ABL 0.40625 0.607143
150 GLC GLC GLC GLC GLC GLC 0.405797 0.767442
151 GLA EGA 0.403226 0.733333
152 5QP 0.403226 0.688889
153 NOY BGC 0.403226 0.611111
154 FRU GAL 0.403226 0.702128
155 MAN DGO 0.403226 0.75
156 TUR 0.403226 0.702128
157 BMA FRU 0.403226 0.702128
158 BTU 0.403226 0.702128
159 GLA GAL FUC 0.402985 0.75
160 FUC GAL GLA 0.402985 0.75
161 GLA GLA FUC 0.402985 0.75
162 FUC GLA GLA 0.402985 0.75
163 GAL GAL FUC 0.402985 0.75
164 MAN MAN MAN MAN 0.4 0.767442
165 MAN MMA 0.4 0.733333
166 MAN MAN BMA MAN 0.4 0.767442
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XXH; Ligand: T6P; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 4xxh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.01064 0.45512 3.52941
2 2XIB DFU 0.02583 0.40248 3.92157
3 2ZJ1 ARJ 0.02033 0.41048 9.01961
4 2ZJ1 NAD 0.02045 0.41036 9.01961
Pocket No.: 2; Query (leader) PDB : 4XXH; Ligand: T6P; 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: 4xxh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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