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Crystal structure of mutant cj ycei protein (cj-N48C) with 5-mercapto- 2-nitrobenzoic acid guest structure

Analyse Crystal structure of mutant cj ycei protein (cj-N48C) with 5-mercapto… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5W2Z
Type: protein
Length: 171 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative periplasmic protein
UniProt: Q0PB90
Ligands: UNL, MNB, SO4
Pockets: 2 · best druggability 0.75

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative periplasmic protein	protein	171	10% helix, 48% strand	Q0PB90

Ligands and binding sites

UNL · Unknown ligand · 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

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	556	0.75	0.82	44	UNL
2	51	0.34	0.78	11	empty

Modifications

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

Compared structures

5W2Z · Crystal structure of mutant CJ YCEI protein (CJ-N48C) with 5-mercapto-2-nitrobenzoic 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 Q0PB90
Elsewhere: RCSB PDB 5W2Z · PDBe 5W2Z · UniProt Q0PB90

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