MolNFT v1 · #140506 · protein

Domain swapped dimer of engineered hairpin LOOP1 mutant in single- chain monellin

5YCU · Single chain monellin: “Domain swapped dimer of engineered hairpin LOOP1 mutant in single- chain monellin”. X-ray diffraction, 1 pocket (best druggability 0.46). MolNFT v1 #140506 on GenesisL1: 3D structure, binding sites and…

PDB: 5YCU
Type: protein
Length: 449 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Single chain monellin
Pockets: 1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D, E	Single chain monellin	protein	90	19% helix, 53% strand	—
B	Single chain monellin	protein	89	19% helix, 51% strand	—

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	198	0.46	0.74	27	empty

Interfaces

10 interfaces between chains.

A–B · 2595 Å² buried · 37 hydrogen bonds · protein-protein
C–D · 2510 Å² buried · 37 hydrogen bonds · protein-protein
B–D · 306 Å² buried · 8 hydrogen bonds · protein-protein
D–E · 260 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 143 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5YCU · Domain swapped dimer of engineered hairpin loop1 mutant in Single-chain Monellin · 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
Elsewhere: RCSB PDB 5YCU · PDBe 5YCU

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