MolNFT v1 · #65344 · protein

Crystal structure of a novel intramolecular chaperon

3GUD · Neck appendage protein: “Crystal structure of a novel intramolecular chaperon”. X-ray diffraction, 3 ligands (NA, BR, CL), 2 pockets (best druggability 0.38). MolNFT v1 #65344 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3GUD
Type: protein
Length: 239 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neck appendage protein
UniProt: Q9FZW3
Ligands: NA, BR, CL
Pockets: 2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neck appendage protein	protein	119	42% helix, 18% strand	Q9FZW3
B	Neck appendage protein	protein	120	39% helix, 17% strand	Q9FZW3

Ligands and binding sites

NA · Sodium ion · metal · chains A, B
BR · Bromide ion · ion · chains A
CL · Chloride ion · ion · chains B
PEG · Di(hydroxyethyl)ether · 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	111	0.38	0.74	19	empty
2	62	0.31	0.75	12	empty

Interfaces

1 interface between chains.

A–B · 330 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3GUD · Crystal structure of a novel intramolecular chaperon · 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 Q9FZW3
Elsewhere: RCSB PDB 3GUD · PDBe 3GUD · UniProt Q9FZW3

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