MolNFT v1 · #106526 · protein

X-ray structure of human serum albumin complexed with cisplatin

4S1Y: “X-ray structure of human serum albumin complexed with cisplatin”. X-ray diffraction, 1 ligand (CPT), 5 pockets (best druggability 0.83). MolNFT v1 #106526 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4S1Y
Type: protein
Length: 543 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum albumin
UniProt: P02768
Ligands: CPT
Pockets: 5 · best druggability 0.83

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum albumin	protein	543	73% helix, 0% strand	P02768

Ligands and binding sites

CPT · Cisplatin · ligand · 5 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	979	0.83	0.84	114	empty
2	149	0.58	0.82	15	empty
3	153	0.54	0.80	17	empty
4	135	0.48	0.78	24	empty
5	50	0.26	0.73	9	CPT

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

4S1Y · X-ray structure of human serum albumin complexed with cisplatin · 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 0.99

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 4S1Y · PDBe 4S1Y · UniProt P02768

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