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Crystal structure of pita from pilus islet-2 of streptococcus oralis

Analyse Crystal structure of pita from pilus islet-2 of streptococcus oralis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7W6B
Type: protein
Length: 782 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Von willebrand factor type a domain protein
UniProt: D4FSQ3
Ligands: MG, CA, IOD
Pockets: 5 · best druggability 0.83

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Von willebrand factor type a domain protein	protein	782	14% helix, 44% strand	D4FSQ3

Ligands and binding sites

MG · Magnesium ion · metal · chains A
CA · Calcium ion · metal · chains A
IOD · Iodide ion · ion · 15 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	323	0.83	0.93	46	empty
2	232	0.70	0.86	42	empty
3	118	0.52	0.81	22	empty
4	205	0.46	0.74	29	empty
5	54	0.37	0.80	20	empty

Modifications

Observed in the structure: 3 isopeptide (isopeptide).

Compared structures

7W6B · Crystal Structure of PitA from pilus islet-2 of Streptococcus oralis · 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 D4FSQ3
Elsewhere: RCSB PDB 7W6B · PDBe 7W6B · UniProt D4FSQ3

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