MolNFT v1 · #35045 · protein

Crystal structure of dihydropteroate synthase from thermus thermophilus HB8 in complex with 4-aminobenzoate

2DZA: “Crystal structure of dihydropteroate synthase from thermus thermophilus HB8 in complex with 4-aminobenzoate”. X-ray diffraction, 1 ligand (PAB), 3 pockets (best druggability 0.69). MolNFT v1 #35045 on GenesisL1: 3D structure…

PDB: 2DZA
Type: protein
Length: 502 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydropteroate synthase
EC: 2.5.1.15
UniProt: Q5SLV2
Ligands: PAB
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydropteroate synthase (EC 2.5.1.15)	protein	245	44% helix, 17% strand	Q5SLV2
B	Dihydropteroate synthase (EC 2.5.1.15)	protein	257	44% helix, 16% strand	Q5SLV2

Ligands and binding sites

PAB · 4-aminobenzoic acid · ligand · chains 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	343	0.69	0.83	45	PAB
2	350	0.62	0.78	42	empty
3	69	0.39	0.79	15	empty

Interfaces

1 interface between chains.

A–B · 1156 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2DZA · Crystal Structure of Dihydropteroate Synthase from Thermus thermophilus HB8 in 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 Q5SLV2
Elsewhere: RCSB PDB 2DZA · PDBe 2DZA · UniProt Q5SLV2

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