MolNFT v1 · #152979 · protein

Structural characterization of mutated nrea protein in nitrate binding site from staphylococcus aureus

6IZK: “Structural characterization of mutated nrea protein in nitrate binding site from staphylococcus aureus”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.54). MolNFT v1 #152979 on GenesisL1: 3D structure, binding…

PDB: 6IZK
Type: protein
Length: 284 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nrea
UniProt: A0A0D1FZV0
Ligands: CL
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Nrea	protein	142	37% helix, 28% strand	A0A0D1FZV0

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B
IMD · Imidazole · additive · 2 copies · chains A, B
TLA · L(+)-tartaric acid · additive · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 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	66	0.54	0.87	16	TLA
2	105	0.44	0.78	16	empty
3	93	0.42	0.78	15	empty

Interfaces

1 interface between chains.

A–B · 1050 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6IZK · Structural characterization of mutated NreA protein in nitrate binding site from… · 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 A0A0D1FZV0
Elsewhere: RCSB PDB 6IZK · PDBe 6IZK · UniProt A0A0D1FZV0

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