MolNFT v1 · #109157 · protein

HLA-A24 in complex with HIV-1 NEF134-8(2F)

4WU7 · HLA class I histocompatibility antigen, a-24 alpha chain: “HLA-A24 in complex with HIV-1 NEF134-8(2F)”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #109157 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4WU7
Type: protein
Length: 762 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HLA class I histocompatibility antigen, a-24 alpha chain; Beta-2-microglobulin; 8-mer…
UniProt: P05534, P61769, Q9YYU3
Pockets: 9 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	HLA class I histocompatibility antigen, a-24 alpha chain	protein	274	28% helix, 39% strand	P05534
B, E	Beta-2-microglobulin	protein	99	0% helix, 49% strand	P61769
C, F	8-mer peptide from protein nef	protein	8	0% helix, 0% strand	Q9YYU3

Pockets

9 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	1086	0.79	0.80	99	empty
2	695	0.70	0.77	54	empty
3	646	0.69	0.77	52	empty
4	92	0.43	0.79	18	empty
5	83	0.42	0.79	22	empty

Interfaces

8 interfaces between chains.

D–E · 1334 Å² buried · 16 hydrogen bonds · protein-protein
A–B · 1332 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 943 Å² buried · 16 hydrogen bonds · protein-protein
D–F · 941 Å² buried · 15 hydrogen bonds · protein-protein
A–D · 570 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

4WU7 · HLA-A24 in complex with HIV-1 Nef134-8(2F) · the same entry in another collection · chain F against F, TM-score 1.00
P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain E against A, TM-score 0.98

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 P05534
Every structure of UniProt P61769
Every structure of UniProt Q9YYU3
Elsewhere: RCSB PDB 4WU7 · PDBe 4WU7 · UniProt P05534 · UniProt P61769 · UniProt Q9YYU3

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