MolNFT v1 · #61492 · protein

1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant

3DN6: “1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant”. X-ray diffraction, 2 ligands (F3B, PO4), 2 pockets (best druggability 0.72). MolNFT v1 #61492 on GenesisL1: 3D structure, binding…

PDB: 3DN6
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: F3B, PO4
Pockets: 2 · best druggability 0.72

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	164	65% helix, 8% strand	P00720

Ligands and binding sites

F3B · 1,3,5-trichloro-2,4,6-trifluorobenzene · ligand · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
HED · 2-hydroxyethyl disulfide · additive · 2 copies · chains A

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

Pockets

2 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	54	0.72	0.98	15	F3B
2	233	0.53	0.76	30	HED

Compared structures

3DN6 · 1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme… · 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 3DN6 · PDBe 3DN6 · UniProt P00720

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