MolNFT v1 · #68660 · protein

Crystal structure of spin labeled T4 lysozyme mutant K65V1/R76V1

3K2R: “Crystal structure of spin labeled T4 lysozyme mutant K65V1/R76V1”. X-ray diffraction, 3 ligands (V1A, K, CL), 1 pocket (best druggability 0.51). MolNFT v1 #68660 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3K2R
Type: protein
Length: 162 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: V1A, K, CL
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	162	65% helix, 8% strand	P00720

Ligands and binding sites

V1A · S-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate · ligand · 2 copies · chains A
K · Potassium ion · metal · chains A
CL · Chloride ion · ion · 2 copies · chains A
HEZ · Hexane-1,6-diol · additive · 2 copies · 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	196	0.51	0.77	29	HEZ, K

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

3K2R · Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 · 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 3K2R · PDBe 3K2R · UniProt P00720

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