MolNFT v1 · #151411 · protein

Complex of caprine serum albumin with diclofenac

6HN1: “Complex of caprine serum albumin with diclofenac”. X-ray diffraction, 2 ligands (DIF, CL), 8 pockets (best druggability 0.81). MolNFT v1 #151411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HN1
Type: protein
Length: 583 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Albumin
UniProt: B3VHM9
Ligands: DIF, CL
Pockets: 8 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Albumin	protein	583	72% helix, 0% strand	B3VHM9

Ligands and binding sites

DIF · 2-[2,6-dichlorophenyl)amino]benzeneacetic acid · ligand · 6 copies · chains A
CL · Chloride ion · ion · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	764	0.81	0.85	73	DIF, CL
2	806	0.76	0.80	57	DIF
3	163	0.70	0.89	22	DIF
4	194	0.70	0.87	21	DIF
5	95	0.49	0.81	15	DIF

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

6HN1 · Complex of Caprine Serum Albumin with diclofenac · 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 B3VHM9
Elsewhere: RCSB PDB 6HN1 · PDBe 6HN1 · UniProt B3VHM9

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