MolNFT v1 · #91653 · protein

Mode of interaction of merocyanine 540 with hew lysozyme

4FJR · Lysozyme C: “Mode of interaction of merocyanine 540 with hew lysozyme”. X-ray diffraction, 2 ligands (0UF, CL), 1 pocket (best druggability 0.34). MolNFT v1 #91653 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4FJR
Type: protein
Length: 129 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lysozyme C
EC: 3.2.1.17
UniProt: P00698
Ligands: 0UF, CL
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme C (EC 3.2.1.17)	protein	129	41% helix, 11% strand	P00698

Ligands and binding sites

0UF · 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid · ligand · chains A
CL · Chloride ion · ion · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	74	0.34	0.76	17	empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4FJR · Mode of interaction of Merocyanine 540 with HEW 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 P00698
Elsewhere: RCSB PDB 4FJR · PDBe 4FJR · UniProt P00698

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