MolNFT v1 · #50304 · protein

Crystal structure of the loading gnatl domain of cura from lyngbya majuscula

2REE: “Crystal structure of the loading gnatl domain of cura from lyngbya majuscula”. X-ray diffraction, 2 ligands (SO4, CL), 2 pockets (best druggability 0.83). MolNFT v1 #50304 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2REE
Type: protein
Length: 398 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cura
EC: 2.3.1.38, 4.1.1.9
UniProt: Q6DNF2
Ligands: SO4, CL
Pockets: 2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cura (EC 2.3.1.38, 4.1.1.9)	protein	199	35% helix, 24% strand	Q6DNF2

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · 2 copies · chains A, B

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	928	0.83	0.85	116	SO4, GOL
2	65	0.38	0.79	16	empty

Interfaces

1 interface between chains.

A–B · 484 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2REE · Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula · 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 Q6DNF2
Elsewhere: RCSB PDB 2REE · PDBe 2REE · UniProt Q6DNF2

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