MolNFT v1 · #78164 · protein

Crystal structure of the cofa type IV pilin subunit from enterotoxigenic E. COLI

3S0T · CFA/III pilin: “Crystal structure of the cofa type IV pilin subunit from enterotoxigenic E. COLI”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.64). MolNFT v1 #78164 on GenesisL1: 3D structure, binding sites and…

PDB: 3S0T
Type: protein
Length: 361 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CFA/III pilin
UniProt: Q59393
Ligands: NA
Pockets: 2 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CFA/III pilin	protein	180	30% helix, 19% strand	Q59393
B	CFA/III pilin	protein	181	29% helix, 19% strand	Q59393

Ligands and binding sites

NA · Sodium ion · metal · chains B
GOL · Glycerol · additive · 2 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	398	0.64	0.78	40	empty
2	55	0.23	0.72	18	empty

Interfaces

1 interface between chains.

A–B · 334 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3S0T · Crystal structure of the CofA Type IV pilin subunit from enterotoxigenic E. coli · 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 Q59393
Elsewhere: RCSB PDB 3S0T · PDBe 3S0T · UniProt Q59393

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