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The type II crystal structure of streptococcus agalactiae sortase C1

Analyse The type II crystal structure of streptococcus agalactiae sortase C1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3RBK
Type: protein
Length: 377 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sortase family protein
UniProt: Q8E0S7
Ligands: SO4
Pockets: 3 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sortase family protein	protein	194	24% helix, 32% strand	Q8E0S7
B	Sortase family protein	protein	183	24% helix, 33% strand	Q8E0S7

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

3 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	453	0.60	0.75	71	SO4
2	67	0.54	0.87	22	empty
3	92	0.35	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 431 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3RBK · The Type II Crystal Structure of Streptococcus agalactiae Sortase C1 · the same entry in another collection · chain B against B, 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 Q8E0S7
Elsewhere: RCSB PDB 3RBK · PDBe 3RBK · UniProt Q8E0S7

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