MolNFT v1 · #191322 · protein

Crystal structure of dihydropteroate synthase H182G mutant (folp- SMZ_B27) from soil uncultured bacterium in complex with pteroic acid and pyrophosphate

8D5I · Folp-SMZ_B27: “Crystal structure of dihydropteroate synthase H182G mutant (folp- SMZ_B27) from soil uncultured bacterium in…”. X-ray diffraction, 2 ligands (PT1, POP), 5 pockets (best druggability 0.62). MolNFT v1 #191322 on…

PDB: 8D5I
Type: protein
Length: 540 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Folp-SMZ_B27
Ligands: PT1, POP
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Folp-SMZ_B27	protein	270	44% helix, 14% strand	—

Ligands and binding sites

PT1 · Pteroic acid · ligand · 2 copies · chains A, B
POP · Pyrophosphate 2- · ligand · chains B

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

Pockets

5 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	275	0.62	0.80	42	PT1
2	166	0.61	0.84	29	POP, PT1
3	108	0.40	0.76	25	empty
4	98	0.39	0.76	22	empty
5	51	0.30	0.77	16	empty

Interfaces

1 interface between chains.

A–B · 1317 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

8D5I · Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil… · 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
Elsewhere: RCSB PDB 8D5I · PDBe 8D5I

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