MolNFT v1 · #163027 · protein

A blocking anti-ctla-4 nanobody (KN044) complexed with ctla-4

6RQM: “A blocking anti-ctla-4 nanobody (KN044) complexed with ctla-4”. X-ray diffraction, 1 pocket (best druggability 0.31). MolNFT v1 #163027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6RQM
Type: protein
Length: 239 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: A blocking anti-ctla-4 nanobody (KN044); Cytotoxic T-lymphocyte protein 4
UniProt: P16410
Pockets: 1 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	A blocking anti-ctla-4 nanobody (KN044)	protein	128	3% helix, 48% strand	—
A	Cytotoxic T-lymphocyte protein 4	protein	111	3% helix, 58% strand	P16410

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	65	0.31	0.75	18	empty

Interfaces

1 interface between chains.

B–A · 762 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6RQM · A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4 · the same entry in another collection · chain B against B, 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 A against A, TM-score 0.77

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 6RQM · PDBe 6RQM · UniProt P16410

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