MolNFT v1 · #153355 · protein

Structure of TPS1/UDP complex

6JBW · Trehalose-6-phosphate synthase: “Structure of TPS1/UDP complex”. X-ray diffraction, 1 ligand (UDP), 11 pockets (best druggability 0.76). MolNFT v1 #153355 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JBW
Type: protein
Length: 914 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trehalose-6-phosphate synthase
EC: 2.4.1.15
UniProt: G4NHF4
Ligands: UDP
Pockets: 11 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Trehalose-6-phosphate synthase (EC 2.4.1.15)	protein	457	47% helix, 18% strand	G4NHF4

Ligands and binding sites

UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1093	0.76	0.78	77	UDP
2	1110	0.75	0.77	68	UDP
3	51	0.70	0.97	15	empty
4	68	0.69	0.95	18	empty
5	535	0.65	0.76	49	empty

Interfaces

1 interface between chains.

A–B · 1467 Å² buried · 22 hydrogen bonds · protein-protein

Compared structures

6JBW · Structure of Tps1/UDP 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 G4NHF4
Elsewhere: RCSB PDB 6JBW · PDBe 6JBW · UniProt G4NHF4

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