MolNFT v1 · #66123 · protein

New azaborine compounds bind to the T4 lysozyme L99A cavity - 1-ethyl- 2-hydro-1,2-azaborine

3HH5: “New azaborine compounds bind to the T4 lysozyme L99A cavity - 1-ethyl- 2-hydro-1,2-azaborine”. X-ray diffraction, 3 ligands (B24, NA, PO4), 2 pockets (best druggability 0.73). MolNFT v1 #66123 on GenesisL1: 3D structure, binding…

PDB: 3HH5
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: B24, NA, PO4
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	164	63% helix, 8% strand	P00720

Ligands and binding sites

B24 · 1-ethyl-1,2-dihydro-1,2-azaborinine · ligand · chains A
NA · Sodium ion · metal · chains A
PO4 · Phosphate 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

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	56	0.73	0.98	17	B24
2	231	0.51	0.76	33	NA

Compared structures

3HH5 · New azaborine compounds bind to the T4 lysozyme L99A cavity… · 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 3HH5 · PDBe 3HH5 · UniProt P00720

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