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Crystal Structure of Equine Serum Albumin in Complex with Cefaclor

Analyse Crystal Structure of Equine Serum Albumin in Complex with Cefaclor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7Q4X
Type: protein
Length: 580 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.12
Source: Equus caballus
Molecule: Albumin
UniProt: F7BAY6
Ligands: 8XI, LMR
Pockets: 8 · best druggability 0.79

Structure

x-ray diffraction · resolution 2.12 · 1 distinct chain · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Albumin	protein	580	75% helix, 0% strand	F7BAY6

Ligands and binding sites

8XI · Cefaclor · ligand · 2 copies · chains A
LMR · (2S)-2-hydroxybutanedioic acid · ligand · chains A
FMT · Formic acid · additive · 7 copies · chains A
MLI · Malonate ion · additive · 5 copies · chains A
ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	513	0.79	0.86	59	MLI, LMR, FMT
2	937	0.79	0.81	70	FMT
3	118	0.73	0.93	22	MLI, FMT
4	60	0.61	0.91	20	empty
5	233	0.55	0.78	22	8XI

Modifications

Observed in the structure: 17 disulfide (disulfide).

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 F7BAY6
Elsewhere: RCSB PDB 7Q4X · PDBe 7Q4X · UniProt F7BAY6

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