MolNFT v1 · #30629 · protein

Crystal structure of spin labeled T4 lysozyme (V131R7)

2A4T: “Crystal structure of spin labeled T4 lysozyme (V131R7)”. X-ray diffraction, 3 ligands (R7A, CL, AZI), 1 pocket (best druggability 0.53). MolNFT v1 #30629 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2A4T
Type: protein
Length: 164 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lysozyme
EC: 3.2.1.17
UniProt: P00720
Ligands: R7A, CL, AZI
Pockets: 1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	164	64% helix, 8% strand	P00720

Ligands and binding sites

R7A · S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate · ligand · chains A
CL · Chloride ion · ion · 3 copies · chains A
AZI · Azide ion · ion · chains A
HED · 2-hydroxyethyl disulfide · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.53	0.77	29	CL

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

2A4T · Crystal structure of spin labeled T4 Lysozyme (V131R7) · 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 P00720
Elsewhere: RCSB PDB 2A4T · PDBe 2A4T · UniProt P00720

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