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X-ray study of human serum albumin complexed with 9 amino camptothecin

Analyse X-ray study of human serum albumin complexed with 9 amino camptothecin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4L8U
Type: protein
Length: 583 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: MYR, 9AZ
Pockets: 7 · best druggability 0.88

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	583	75% helix, 0% strand	P02768

Ligands and binding sites

MYR · Myristic acid · ligand · 5 copies · chains A
9AZ · (2S)-2-[1-amino-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid · ligand · chains A

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

Pockets

7 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	1082	0.88	0.89	102	MYR
2	332	0.80	0.90	44	MYR
3	723	0.72	0.78	65	9AZ
4	248	0.70	0.85	30	MYR
5	108	0.60	0.86	20	MYR

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

4L8U · X-ray study of human serum albumin complexed with 9 amino camptothecin · the same entry in another collection · chain A against A, TM-score 1.00
P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.84

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 P02768
Elsewhere: RCSB PDB 4L8U · PDBe 4L8U · UniProt P02768

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