MolNFT v1 · #119840 · protein

Ctla-4 in complex with tremelimumab Fab

5GGV · Light chain: “Ctla-4 in complex with tremelimumab Fab”. X-ray diffraction, 6 pockets (best druggability 0.59). MolNFT v1 #119840 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5GGV
Type: protein
Length: 557 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Light chain; Heavy chain; Cytotoxic T-lymphocyte protein 4
UniProt: P16410
Pockets: 6 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Light chain	protein	213	6% helix, 50% strand	—
H	Heavy chain	protein	225	9% helix, 50% strand	—
Y	Cytotoxic T-lymphocyte protein 4	protein	119	3% helix, 53% strand	P16410

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	153	0.59	0.83	27	empty
2	354	0.55	0.74	52	empty
3	59	0.50	0.86	22	empty
4	87	0.31	0.72	23	empty
5	61	0.30	0.74	17	empty

Interfaces

3 interfaces between chains.

L–H · 1930 Å² buried · 17 hydrogen bonds · protein-protein
H–Y · 616 Å² buried · 8 hydrogen bonds · protein-protein
L–Y · 414 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

5GGV · CTLA-4 in complex with tremelimumab Fab · the same entry in another collection · chain L against L, 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 Y 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 P16410
Elsewhere: RCSB PDB 5GGV · PDBe 5GGV · UniProt P16410

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.