MolNFT v1 · #66266 · protein

Human class I histocompatibility antigen A2.1

3HLA · Class I histocompatibility antigen (HLA-A2.1) (alpha chain): “Human class I histocompatibility antigen A2.1”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #66266 on GenesisL1: 3D structure, binding sites and…

PDB: 3HLA
Type: protein
Length: 369 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class I histocompatibility antigen (HLA-A2.1) (alpha chain); Beta 2-microglobulin
UniProt: P01892, P61769
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Class I histocompatibility antigen (HLA-A2.1) (alpha chain)	protein	270	27% helix, 40% strand	P01892
B	Beta 2-microglobulin	protein	99	0% helix, 52% strand	P61769

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	725	0.69	0.76	69	empty
2	280	0.59	0.78	40	empty
3	113	0.44	0.78	19	empty
4	56	0.29	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 1335 Å² buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3HLA · Human class I histocompatibility antigen A2.1 · the same entry in another collection · chain A against A, TM-score 1.00
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P01892
Every structure of UniProt P61769
Elsewhere: RCSB PDB 3HLA · PDBe 3HLA · UniProt P01892 · UniProt P61769

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