MolNFT v1 · #137894 · protein

Crystal structure of mutant cj ycei protein (cj-G34C) with hydroxymercuribenzoic acid guest structure

5W2K · Polyisoprenoid-binding protein: “Crystal structure of mutant cj ycei protein (cj-G34C) with hydroxymercuribenzoic acid guest structure”. X-ray diffraction, 3 ligands (UNL, MBO, SO4), 1 pocket (best druggability 0.74). MolNFT v1…

PDB: 5W2K
Type: protein
Length: 171 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polyisoprenoid-binding protein
UniProt: Q79JB5
Ligands: UNL, MBO, SO4
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polyisoprenoid-binding protein	protein	171	11% helix, 47% strand	Q79JB5

Ligands and binding sites

UNL · Unknown ligand · ligand · chains A
MBO · Mercuribenzoic acid · metal · chains A
SO4 · Sulfate ion · ion · 2 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	540	0.74	0.81	43	UNL

Compared structures

5W2K · Crystal structure of mutant CJ YCEI protein (CJ-G34C) with hydroxymercuribenzoic acid… · 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 Q79JB5
Elsewhere: RCSB PDB 5W2K · PDBe 5W2K · UniProt Q79JB5

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