MolNFT v1 · #65350 · protein

T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity-- benzene binding

3GUJ: “T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity-- benzene binding”. X-ray diffraction, 3 ligands (BNZ, CO3, SO4), 1 pocket (best druggability 0.47). MolNFT v1 #65350 on GenesisL1: 3D structure, binding sites and…

PDB: 3GUJ
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: BNZ, CO3, SO4
Pockets: 1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	162	65% helix, 9% strand	P00720

Ligands and binding sites

BNZ · Benzene · ligand · chains A
CO3 · Carbonate ion · ion · chains A
SO4 · Sulfate ion · ion · chains A
BME · Beta-mercaptoethanol · additive · chains A
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.47	0.76	23	EPE

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, artifact).

Compared structures

3GUJ · T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Benzene binding · 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 3GUJ · PDBe 3GUJ · UniProt P00720

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