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Crystal structure of bovine alpha-lactalbumin

Analyse Crystal structure of bovine alpha-lactalbumin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1F6S
Type: protein
Length: 730 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-lactalbumin
UniProt: P00711
Ligands: CA
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D, F	Alpha-lactalbumin	protein	122	44% helix, 11% strand	P00711
B, E	Alpha-lactalbumin	protein	121	45% helix, 10% strand	P00711

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

6 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	757	0.76	0.80	76	empty
2	251	0.66	0.83	34	empty
3	202	0.60	0.81	31	empty
4	66	0.32	0.76	17	empty
5	74	0.30	0.74	16	empty

Interfaces

6 interfaces between chains.

B–E · 473 Å² buried · 4 hydrogen bonds · protein-protein
A–E · 441 Å² buried · 3 hydrogen bonds · protein-protein
D–F · 422 Å² buried · 2 hydrogen bonds · protein-protein
E–F · 421 Å² buried · 2 hydrogen bonds · protein-protein
D–E · 111 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

1F6S · Crystal structure of bovine alpha-lactalbumin · the same entry in another collection · chain F against F, TM-score 1.00
P00711 · AlphaFold monomer V2.0 prediction for alpha-lactalbumin (P00711) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P00711
Elsewhere: RCSB PDB 1F6S · PDBe 1F6S · UniProt P00711

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