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Crystal structure of the receiver domain of ntrx from brucella abortus in complex with beryllofluoride and magnesium

Analyse Crystal structure of the receiver domain of ntrx from brucella abortus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4D6Y
Type: protein
Length: 242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacterial regulatory, fis family protein
UniProt: Q2YPW6
Ligands: BEF, MG
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bacterial regulatory, fis family protein	protein	121	46% helix, 17% strand	Q2YPW6

Ligands and binding sites

BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 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	60	0.31	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 637 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4D6Y · Crystal structure of the receiver domain of NtrX from Brucella abortus in complex with… · 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 Q2YPW6
Elsewhere: RCSB PDB 4D6Y · PDBe 4D6Y · UniProt Q2YPW6

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