MolNFT v1 · #38361 · protein

Selenomethionine derivative of griffithsin

2GUX: “Selenomethionine derivative of griffithsin”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.35). MolNFT v1 #38361 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2GUX
Type: protein
Length: 126 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Griffithsin
UniProt: P84801
Ligands: SO4
Pockets: 1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Griffithsin	protein	126	0% helix, 54% strand	P84801

Ligands and binding sites

SO4 · Sulfate ion · ion · 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	67	0.35	0.77	15	empty

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

2GUX · Selenomethionine derivative of griffithsin · 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 P84801
Elsewhere: RCSB PDB 2GUX · PDBe 2GUX · UniProt P84801

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