MolNFT v1 · #4531 · protein

The crystal structure of murine CTLA4 (CD152)

1DQT · Cytotoxic T lymphocyte associated antigen 4: “The crystal structure of murine CTLA4 (CD152)”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.60). MolNFT v1 #4531 on GenesisL1: 3D structure, binding sites and…

PDB: 1DQT
Type: protein
Length: 468 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytotoxic T lymphocyte associated antigen 4
UniProt: P09793
Ligands: CL
Pockets: 8 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Cytotoxic T lymphocyte associated antigen 4	protein	117	3% helix, 56% strand	P09793

Ligands and binding sites

CL · Chloride ion · ion · 4 copies · chains A, B, D, C
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	301	0.60	0.78	41	CL
2	181	0.48	0.76	20	empty
3	82	0.40	0.79	20	empty
4	70	0.37	0.78	19	empty
5	103	0.37	0.75	24	empty

Interfaces

5 interfaces between chains.

A–B · 810 Å² buried · 5 hydrogen bonds · protein-protein
C–D · 807 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 401 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 392 Å² buried · 1 hydrogen bond · protein-protein
B–D · 120 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

1DQT · The crystal structure of murine CTLA4 (CD152) · the same entry in another collection · chain D against D, TM-score 1.00
P09793 · AlphaFold monomer V2.0 prediction for cytotoxic T-lymphocyte protein 4 (P09793) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 P09793
Elsewhere: RCSB PDB 1DQT · PDBe 1DQT · UniProt P09793

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