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Crystal structure of apo-bovine alpha-lactalbumin

Analyse Crystal structure of apo-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: 1F6R
Type: protein
Length: 727 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-lactalbumin
UniProt: P00711
Pockets: 6 · best druggability 0.87

Structure

x-ray diffraction · 4 distinct chains · 45% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-lactalbumin	protein	123	46% helix, 10% strand	P00711
B	Alpha-lactalbumin	protein	122	45% helix, 10% strand	P00711
C, E	Alpha-lactalbumin	protein	121	46% helix, 10% strand	P00711
D, F	Alpha-lactalbumin	protein	120	43% helix, 10% strand	P00711

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1026	0.87	0.89	157	empty
2	153	0.79	0.96	28	empty
3	56	0.67	0.96	16	empty
4	95	0.63	0.89	20	empty
5	72	0.28	0.73	15	empty

Interfaces

15 interfaces between chains.

A–C · 583 Å² buried · 9 hydrogen bonds · protein-protein
C–E · 556 Å² buried · 7 hydrogen bonds · protein-protein
B–F · 555 Å² buried · 8 hydrogen bonds · protein-protein
A–E · 554 Å² buried · 5 hydrogen bonds · protein-protein
D–F · 542 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

1F6R · Crystal structure of apo-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 B against A, TM-score 0.97

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 1F6R · PDBe 1F6R · UniProt P00711

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