MolNFT v1 · #63887 · protein

Crystal structure of sortase a (SPY1154) from streptococcus pyogenes serotype M1 strain SF370

3FN5: “Crystal structure of sortase a (SPY1154) from streptococcus pyogenes serotype M1 strain SF370”. X-ray diffraction, 5 pockets (best druggability 0.55). MolNFT v1 #63887 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3FN5
Type: protein
Length: 324 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sortase a
UniProt: Q99ZN4
Pockets: 5 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sortase a	protein	161	19% helix, 35% strand	Q99ZN4
B	Sortase a	protein	163	20% helix, 35% strand	Q99ZN4

Ligands and binding sites

EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	273	0.55	0.76	27	empty
2	130	0.42	0.75	16	empty
3	98	0.41	0.77	19	empty
4	84	0.38	0.76	19	empty
5	68	0.37	0.78	15	empty

Interfaces

1 interface between chains.

A–B · 295 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3FN5 · Crystal structure of sortase A (Spy1154) from Streptococcus pyogenes serotype M1 strain… · 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 Q99ZN4
Elsewhere: RCSB PDB 3FN5 · PDBe 3FN5 · UniProt Q99ZN4

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