MolNFT v1 · #159047 · protein

Crystal structure of equine serum albumin in complex with suprofen

6OCJ: “Crystal structure of equine serum albumin in complex with suprofen”. X-ray diffraction, 1 ligand (M5A), 9 pockets (best druggability 0.80). MolNFT v1 #159047 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OCJ
Type: protein
Length: 581 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: F7BAY6
Ligands: M5A
Pockets: 9 · best druggability 0.80

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	581	72% helix, 0% strand	F7BAY6

Ligands and binding sites

M5A · (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid · ligand · chains A
MLI · Malonate ion · additive · chains A
SIN · Succinic acid · additive · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

9 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	588	0.80	0.85	64	SIN
2	712	0.78	0.83	55	empty
3	145	0.75	0.93	24	M5A
4	121	0.69	0.90	27	empty
5	278	0.60	0.79	25	ACT

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

6OCJ · Crystal Structure of Equine Serum Albumin in Complex with Suprofen · 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 F7BAY6
Elsewhere: RCSB PDB 6OCJ · PDBe 6OCJ · UniProt F7BAY6

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