MolNFT v1 · #152925 · protein

X-ray structure of major pilin from C. perfringens SM101

6IXY: “X-ray structure of major pilin from C. perfringens SM101”. X-ray diffraction, 20 pockets (best druggability 0.61). MolNFT v1 #152925 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6IXY
Type: protein
Length: 1,804 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pilin
UniProt: Q0SWL8
Pockets: 20 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Pilin	protein	448	8% helix, 48% strand	Q0SWL8
B, D	Pilin	protein	454	7% helix, 47% strand	Q0SWL8

Pockets

20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	276	0.61	0.80	31	empty
2	317	0.61	0.78	36	empty
3	290	0.58	0.78	34	empty
4	275	0.58	0.78	39	empty
5	216	0.53	0.77	25	empty

Interfaces

4 interfaces between chains.

A–D · 813 Å² buried · 15 hydrogen bonds · protein-protein
B–C · 799 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 724 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 712 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 isopeptide (isopeptide).

Compared structures

6IXY · X-ray structure of major pilin from C. perfringens SM101 · 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 Q0SWL8
Elsewhere: RCSB PDB 6IXY · PDBe 6IXY · UniProt Q0SWL8

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