Receptor
PDB id Resolution Class Description Source Keywords
5DX9 2.15 Å EC: 2.4.1.15 STRUCTURE OF TREHALOSE-6-PHOSPHATE PHOSPHATASE FROM CRYPTOCO NEOFORMANS CRYPTOCOCCUS NEOFORMANS TREHALOSE-6-PHOSPHATE PHOSPHATASE HYDROLASE
Ref.: STRUCTURES OF TREHALOSE-6-PHOSPHATE PHOSPHATASE FRO PATHOGENIC FUNGI REVEAL THE MECHANISMS OF SUBSTRATE RECOGNITION AND CATALYSIS. PROC.NATL.ACAD.SCI.USA V. 113 7148 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
BME A:403;
Invalid;
none;
submit data
78.133 C2 H6 O S C(CS)...
GLC G6P B:1;
Valid;
none;
submit data
420.26 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DX9 2.15 Å EC: 2.4.1.15 STRUCTURE OF TREHALOSE-6-PHOSPHATE PHOSPHATASE FROM CRYPTOCO NEOFORMANS CRYPTOCOCCUS NEOFORMANS TREHALOSE-6-PHOSPHATE PHOSPHATASE HYDROLASE
Ref.: STRUCTURES OF TREHALOSE-6-PHOSPHATE PHOSPHATASE FRO PATHOGENIC FUNGI REVEAL THE MECHANISMS OF SUBSTRATE RECOGNITION AND CATALYSIS. PROC.NATL.ACAD.SCI.USA V. 113 7148 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5DX9 - 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 4 families.
1 5DX9 - GLC G6P n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5DX9 - GLC G6P n/a n/a
2 5DXI - GLC GLC 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) APoc FAQ
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