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Crystal structure of sortase C-1 (srtc-1) mutant H131D from S. pneumoniae

Analyse Crystal structure of sortase C-1 (srtc-1) mutant H131D from S. pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2WTS
Type: protein
Length: 394 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative sortase
EC: 2.3.2.12
UniProt: Q97SB9
Ligands: ALA
Pockets: 4 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative sortase (EC 2.3.2.12)	protein	197	26% helix, 30% strand	Q97SB9

Ligands and binding sites

ALA · Alanine · ligand · chains A
GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

4 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	261	0.58	0.78	62	GOL
2	103	0.50	0.82	23	empty
3	53	0.42	0.83	20	empty
4	56	0.26	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 450 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2WTS · Crystal structure of sortase C-1 (SrtC-1) mutant H131D from S. pneumoniae · 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 Q97SB9
Elsewhere: RCSB PDB 2WTS · PDBe 2WTS · UniProt Q97SB9

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