MolNFT v1 · #63276 · protein

The 1.65A crystal structure of 3-hexulose-6-phosphate synthase from salmonella typhimurium

3F4W · Putative hexulose 6 phosphate synthase: “The 1.65A crystal structure of 3-hexulose-6-phosphate synthase from salmonella typhimurium”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #63276 on GenesisL1: 3D…

PDB: 3F4W
Type: protein
Length: 422 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative hexulose 6 phosphate synthase
EC: 4.1.2.-
UniProt: Q8ZMP9
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative hexulose 6 phosphate synthase (EC 4.1.2.-)	protein	211	49% helix, 20% strand	Q8ZMP9

Ligands and binding sites

MLI · Malonate ion · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	175	0.67	0.87	43	MLI
2	182	0.66	0.86	41	MLI
3	219	0.51	0.76	43	empty

Interfaces

1 interface between chains.

A–B · 1472 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

3F4W · The 1.65A Crystal Structure of 3-hexulose-6-phosphate synthase from Salmonella typhimurium · 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 Q8ZMP9
Elsewhere: RCSB PDB 3F4W · PDBe 3F4W · UniProt Q8ZMP9

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