MolNFT v1 · #159049 · protein

Crystal structure of leporine serum albumin in complex with suprofen

6OCL: “Crystal structure of leporine serum albumin in complex with suprofen”. X-ray diffraction, 1 ligand (M5A), 8 pockets (best druggability 0.77). MolNFT v1 #159049 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OCL
Type: protein
Length: 581 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: G1U9S2
Ligands: M5A
Pockets: 8 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	581	73% helix, 0% strand	G1U9S2

Ligands and binding sites

M5A · (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid · ligand · chains A
ACT · Acetate ion · additive · 2 copies · chains A
PGE · Triethylene glycol · additive · 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, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	777	0.77	0.80	59	ACT
2	147	0.73	0.91	21	M5A
3	456	0.72	0.82	50	ACT
4	255	0.66	0.83	39	PGE
5	201	0.60	0.81	20	empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

6OCL · Crystal Structure of Leporine 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 G1U9S2
Elsewhere: RCSB PDB 6OCL · PDBe 6OCL · UniProt G1U9S2

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