MolNFT v1 · #124062 · protein

Structure of mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with ADP-glucose.

5K41 · ALPHA,ALPHA-trehalose-phosphate synthase: “Structure of mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with ADP-glucose.”. X-ray diffraction, 1 ligand (ADQ), 3 pockets (best druggability 0.74). MolNFT v1…

PDB: 5K41
Type: protein
Length: 463 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALPHA,ALPHA-trehalose-phosphate synthase
UniProt: A0A117IMA6
Ligands: ADQ
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALPHA,ALPHA-trehalose-phosphate synthase	protein	463	46% helix, 20% strand	A0A117IMA6

Ligands and binding sites

ADQ · Adenosine-5'-diphosphate-glucose · ligand · chains A
EDO · 1,2-ethanediol · additive · 5 copies · chains A
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	995	0.74	0.77	66	ADQ
2	75	0.42	0.80	20	empty
3	52	0.29	0.76	15	empty

Compared structures

5K41 · Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A0A117IMA6
Elsewhere: RCSB PDB 5K41 · PDBe 5K41 · UniProt A0A117IMA6

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