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Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein psrp

Analyse Crystal structure of the KRT10-binding region domain of the pneumococcal serine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3ZGI
Type: protein
Length: 522 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cell wall surface anchor family protein
UniProt: Q97P71
Ligands: SO4
Pockets: 6 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cell wall surface anchor family protein	protein	174	2% helix, 48% strand	Q97P71
B, C	Cell wall surface anchor family protein	protein	174	2% helix, 47% strand	Q97P71

Ligands and binding sites

SO4 · Sulfate ion · ion · 6 copies · chains A, C, B
EDO · 1,2-ethanediol · additive · chains B, C

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

Pockets

6 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	167	0.53	0.79	25	empty
2	202	0.51	0.77	31	SO4
3	132	0.48	0.79	27	EDO
4	109	0.46	0.79	22	empty
5	54	0.39	0.81	14	empty

Interfaces

2 interfaces between chains.

B–C · 608 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 381 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

3ZGI · Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt Q97P71
Elsewhere: RCSB PDB 3ZGI · PDBe 3ZGI · UniProt Q97P71

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