MolNFT v1 · #52461 · protein

Crystal structure of sortase C-1 (srtc-1) from streptococcus pneumoniae

2W1J · Putative sortase: “Crystal structure of sortase C-1 (srtc-1) from streptococcus pneumoniae”. X-ray diffraction, 4 pockets (best druggability 0.56). MolNFT v1 #52461 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2W1J
Type: protein
Length: 390 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
Pockets: 4 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative sortase (EC 2.3.2.12)	protein	195	26% helix, 31% strand	Q97SB9
B	Putative sortase (EC 2.3.2.12)	protein	195	27% helix, 31% strand	Q97SB9

Ligands and binding sites

GOL · Glycerol · additive · 6 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	204	0.56	0.79	45	GOL
2	113	0.46	0.79	22	empty
3	108	0.43	0.78	22	empty
4	66	0.28	0.73	17	GOL

Interfaces

1 interface between chains.

A–B · 444 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

2W1J · CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus 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 2W1J · PDBe 2W1J · UniProt Q97SB9

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