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The crystal structure of ctla-4 and Fab

Analyse The crystal structure of ctla-4 and Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7ELX
Type: protein
Length: 1,077 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heavy chain of Fab; Light chain of Fab; Cytotoxic T-lymphocyte protein 4
UniProt: P16410
Pockets: 12 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 7% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Heavy chain of Fab	protein	211	7% helix, 53% strand	—
L, l	Light chain of Fab	protein	212	8% helix, 51% strand	—
h	Heavy chain of Fab	protein	212	8% helix, 53% strand	—
c, C	Cytotoxic T-lymphocyte protein 4	protein	115	3% helix, 59% strand	P16410

Pockets

12 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	968	0.77	0.80	102	empty
2	363	0.57	0.75	25	empty
3	219	0.54	0.78	33	empty
4	213	0.53	0.77	26	empty
5	219	0.53	0.77	29	empty

Interfaces

9 interfaces between chains.

H–L · 1641 Å² buried · 13 hydrogen bonds · protein-protein
h–l · 1591 Å² buried · 12 hydrogen bonds · protein-protein
h–c · 580 Å² buried · 5 hydrogen bonds · protein-protein
H–C · 569 Å² buried · 7 hydrogen bonds · protein-protein
L–C · 363 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

7ELX · The crystal structure of CTLA-4 and Fab · the same entry in another collection · chain C against C, TM-score 1.00
P16410 · AlphaFold monomer V2.0 prediction for cytotoxic T-lymphocyte protein 4 (P16410) · a predicted model of the same protein · chain c against A, TM-score 0.96

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 P16410
Elsewhere: RCSB PDB 7ELX · PDBe 7ELX · UniProt P16410

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