MolNFT v1 · #63720 · protein

Crystal structure of T4 lysozyme mutant R96W

3FI5: “Crystal structure of T4 lysozyme mutant R96W”. X-ray diffraction, 2 ligands (NA, CL), 4 pockets (best druggability 0.54). MolNFT v1 #63720 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3FI5
Type: protein
Length: 654 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lysozyme
EC: 3.2.1.17
UniProt: P00720
Ligands: NA, CL
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D	Lysozyme (EC 3.2.1.17)	protein	164	63% helix, 8% strand	P00720
C	Lysozyme (EC 3.2.1.17)	protein	162	59% helix, 9% strand	P00720

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A, B, C
CL · Chloride ion · ion · 4 copies · chains A, B, C, D
IPA · Isopropyl alcohol · additive · chains A

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

Pockets

4 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	224	0.54	0.77	29	empty
2	260	0.51	0.75	30	NA
3	147	0.45	0.76	29	NA
4	182	0.43	0.73	26	CL, NA

Interfaces

1 interface between chains.

B–C · 177 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3FI5 · Crystal Structure of T4 Lysozyme Mutant R96W · 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 3FI5 · PDBe 3FI5 · UniProt P00720

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