MolNFT v1 · #53492 · protein

Structure of the pilus adhesin (rrga) from streptococcus pneumoniae

2WW8 · Cell wall surface anchor family protein: “Structure of the pilus adhesin (rrga) from streptococcus pneumoniae”. X-ray diffraction, 2 ligands (CA, MG), 4 pockets (best druggability 0.57). MolNFT v1 #53492 on GenesisL1: 3D structure…

PDB: 2WW8
Type: protein
Length: 815 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cell wall surface anchor family protein
UniProt: Q97SC3
Ligands: CA, MG
Pockets: 4 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cell wall surface anchor family protein	protein	815	16% helix, 40% strand	Q97SC3

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
MG · Magnesium ion · metal · chains A
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A

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	304	0.57	0.77	39	empty
2	128	0.42	0.75	28	empty
3	70	0.39	0.79	17	empty
4	69	0.29	0.73	18	empty

Modifications

Observed in the structure: 2 isopeptide (isopeptide).

Compared structures

2WW8 · Structure of the pilus adhesin (RrgA) 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 Q97SC3
Elsewhere: RCSB PDB 2WW8 · PDBe 2WW8 · UniProt Q97SC3

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