MolNFT v1 · #137918 · protein

Crystal structure of mutant cj ycei protein (cj-N182C) with 5- mercapto-2-nitrobenzoic acid guest structure

5W3A · Polyisoprenoid-binding protein: “Crystal structure of mutant cj ycei protein (cj-N182C) with 5- mercapto-2-nitrobenzoic acid guest structure”. X-ray diffraction, 3 ligands (LFA, MNB, SO4), 1 pocket (best druggability 0.75). MolNFT…

PDB: 5W3A
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: LFA, MNB, SO4
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polyisoprenoid-binding protein	protein	171	10% helix, 48% strand	Q79JB5

Ligands and binding sites

LFA · Eicosane · ligand · chains A
MNB · 5-mercapto-2-nitro-benzoic acid · ligand · 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	0.75	0.82	44	LFA

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

5W3A · Crystal structure of mutant CJ YCEI protein (CJ-N182C) with 5-mercapto-2-nitrobenzoic… · 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 5W3A · PDBe 5W3A · UniProt Q79JB5

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