MolNFT v1 · #37955 · protein

Crystal structure of a calcium-binding protein, regucalcin (AGR_C_1268) from agrobacterium tumefaciens str. C58 at 1.55 a resolution

2GHS · AGR_C_1268P: “Crystal structure of a calcium-binding protein, regucalcin (AGR_C_1268) from agrobacterium tumefaciens str.…”. X-ray diffraction, 2 ligands (K, CL), 2 pockets (best druggability 0.42). MolNFT v1 #37955 on GenesisL1: 3D…

PDB: 2GHS
Type: protein
Length: 295 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AGR_C_1268P
UniProt: Q7D0W3
Ligands: K, CL
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AGR_C_1268P	protein	295	3% helix, 53% strand	Q7D0W3

Ligands and binding sites

K · Potassium ion · metal · chains A
CL · Chloride ion · ion · chains A
EDO · 1,2-ethanediol · additive · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	59	0.42	0.82	20	empty
2	88	0.41	0.78	18	EDO

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

2GHS · Crystal structure of a calcium-binding protein, regucalcin (AGR_C_1268) 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 Q7D0W3
Elsewhere: RCSB PDB 2GHS · PDBe 2GHS · UniProt Q7D0W3

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