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
GLC G6P D:1;
C:1;
 Valid;
Valid;
 none;
none;
 Kd = 10 uM
420.26 n/a P(=O)...
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 308 families.
1 4XXH Kd = 10 uM GLC G6P n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 4XXH Kd = 10 uM GLC G6P n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 4XXH Kd = 10 uM GLC G6P n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC G6P; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC G6P 1 1
2 MAN MAN M6P 0.603175 1
3 GLC U8V 0.6 0.733333
4 MAN IPD MAN 0.54386 1
5 IPD MAN 0.534483 0.952381
6 MGF G6P 0.527273 0.8125
7 BGC GLA GAL 0.518519 0.785714
8 BGC XGP 0.516667 1
9 L6T 0.515625 0.634615
10 G16 0.490909 0.844444
11 GPM GLC 0.483871 0.976744
12 BQZ 0.480769 0.714286
13 XGP 0.461538 0.863636
14 GL1 0.461538 0.863636
15 M1P 0.461538 0.863636
16 G1P 0.461538 0.863636
17 U2D GLC 0.457143 0.634615
18 FUC GAL 0.45 0.744186
19 MBG GAL 0.440678 0.75
20 MBG GLA 0.438596 0.75
21 GAL SO4 GAL 0.432836 0.769231
22 GAL GLA 0.431034 0.785714
23 A2G GAL 0.430769 0.611111
24 MAN MAN 0.423729 0.744186
25 ABL 0.421875 0.618182
26 GCU BGC 0.421875 0.767442
27 5QP 0.419355 0.704545
28 MGL GAL 0.416667 0.75
29 GYP 0.411765 0.681818
30 BGC GLC GLC 0.411765 0.785714
31 MMA MAN MAN 0.411765 0.75
32 AMG 0.411765 0.681818
33 MMA 0.411765 0.681818
34 MBG 0.411765 0.681818
35 RI2 0.410714 0.723404
36 GLC GLC 6X6 0.410256 0.708333
37 RR7 GLC 0.409836 0.75
38 7D1 MAN 0.409836 0.711111
39 NAG GAL 0.409091 0.611111
40 NOY BGC 0.40625 0.618182
41 R1P 0.403846 0.782609
42 GLC GLC GLC GLC BGC GLC GLC 0.403226 0.785714
43 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403226 0.785714
44 MAN BMA BMA BMA BMA BMA BMA 0.403226 0.785714
45 BMA MAN MAN 0.402985 0.785714
46 CJX 0.4 0.6
47 GLC 7LQ 0.4 0.744186
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC G6P; Similar ligands found: 3
No: Ligand Similarity coefficient
1 VDO 0.9625
2 GLC GLC 0.8884
3 5GP 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XXH; Ligand: GLC G6P; 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: 4xxh.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XXH; Ligand: GLC G6P; 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: 4xxh.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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