MolNFT v1 · #52671 · protein

Spla serine protease of staphylococcus aureus (1.8A)

2W7S · Serine protease spla: “Spla serine protease of staphylococcus aureus (1.8A)”. X-ray diffraction, 5 pockets (best druggability 0.78). MolNFT v1 #52671 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2W7S
Type: protein
Length: 777 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serine protease spla
EC: 3.4.21.19
UniProt: Q2FXC2
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 12% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serine protease spla (EC 3.4.21.19)	protein	196	14% helix, 39% strand	Q2FXC2
B	Serine protease spla (EC 3.4.21.19)	protein	195	15% helix, 40% strand	Q2FXC2
C	Serine protease spla (EC 3.4.21.19)	protein	192	10% helix, 43% strand	Q2FXC2
D	Serine protease spla (EC 3.4.21.19)	protein	194	8% helix, 41% strand	Q2FXC2

Pockets

5 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	834	0.78	0.81	109	empty
2	149	0.71	0.90	34	empty
3	101	0.48	0.81	16	empty
4	89	0.45	0.80	19	empty
5	53	0.28	0.74	16	empty

Interfaces

4 interfaces between chains.

A–B · 588 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 455 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 324 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 203 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2W7S · SplA serine protease of Staphylococcus aureus (1.8A) · the same entry in another collection · chain D against D, TM-score 1.00
Q2FXC2 · AlphaFold monomer V2.0 prediction for serine protease spla (Q2FXC2) · a predicted model of the same protein · chain C against A, TM-score 0.99

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 Q2FXC2
Elsewhere: RCSB PDB 2W7S · PDBe 2W7S · UniProt Q2FXC2

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