MolNFT v1 · #22541 · protein

Use of sequence duplication to engineer a ligand-triggered long- distance molecular switch in T4 lysozyme

1T8A: “Use of sequence duplication to engineer a ligand-triggered long- distance molecular switch in T4 lysozyme”. X-ray diffraction, 2 ligands (GAI, CL), 2 pockets (best druggability 0.44). MolNFT v1 #22541 on GenesisL1: 3D structure…

PDB: 1T8A
Type: protein
Length: 175 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: GAI, CL
Pockets: 2 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysozyme (EC 3.2.1.17)	protein	175	64% helix, 10% strand	P00720

Ligands and binding sites

GAI · Guanidine · ligand · chains A
CL · Chloride 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	149	0.44	0.75	20	empty
2	63	0.28	0.73	14	empty

Compared structures

1T8A · USE OF SEQUENCE DUPLICATION TO ENGINEER A LIGAND-TRIGGERED LONG-DISTANCE MOLECULAR SWITCH… · 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 1T8A · PDBe 1T8A · UniProt P00720

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