MolNFT v1 · #90723 · protein

1.55 ångström crystal structure of the four helical bundle membrane localization domain (4HBM) of the vibrio vulnificus martx effector domain DUF5

4ERR · Autotransporter adhesin: “1.55 ångström crystal structure of the four helical bundle membrane localization domain (4HBM) of the vibrio…”. X-ray diffraction, 2 ligands (BR, CL), 1 pocket (best druggability 0.45). MolNFT v1 #90723 on…

PDB: 4ERR
Type: protein
Length: 165 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Autotransporter adhesin
UniProt: Q8D6P9
Ligands: BR, CL
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Autotransporter adhesin	protein	82	84% helix, 0% strand	Q8D6P9
B	Autotransporter adhesin	protein	83	82% helix, 0% strand	Q8D6P9

Ligands and binding sites

BR · Bromide ion · ion · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B

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	146	0.45	0.76	27	BR, CL

Interfaces

1 interface between chains.

A–B · 1647 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4ERR · 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain… · 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 Q8D6P9
Elsewhere: RCSB PDB 4ERR · PDBe 4ERR · UniProt Q8D6P9

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