MolNFT v1 · #23327 · protein

Dihydropteroate synthetase from bacillus anthracis

1TWS · Dhps, dihydropteroate synthase: “Dihydropteroate synthetase from bacillus anthracis”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.34). MolNFT v1 #23327 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1TWS
Type: protein
Length: 540 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dhps, dihydropteroate synthase
EC: 2.5.1.15
UniProt: Q81VW8
Ligands: SO4
Pockets: 2 · best druggability 0.34

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dhps, dihydropteroate synthase (EC 2.5.1.15)	protein	273	47% helix, 15% strand	Q81VW8
B	Dhps, dihydropteroate synthase (EC 2.5.1.15)	protein	267	48% helix, 15% strand	Q81VW8

Ligands and binding sites

SO4 · Sulfate ion · ion · 12 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.34	0.78	16	SO4
2	95	0.33	0.73	26	empty

Interfaces

1 interface between chains.

A–B · 324 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

1TWS · Dihydropteroate Synthetase From Bacillus anthracis · 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 Q81VW8
Elsewhere: RCSB PDB 1TWS · PDBe 1TWS · UniProt Q81VW8

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