MolNFT v1 · #9310 · protein
The three-dimensional structure of HLA-B27 at 2.1 ångströms resolution suggests a general mechanism for tight peptide binding to MHC
1HSA · Class I histocompatibility antigen (HLA-B*2705): “The three-dimensional structure of HLA-B27 at 2.1 ångströms resolution suggests a general mechanism for tight…”. X-ray diffraction, 12 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 1HSA
- Type
- protein
- Length
- 768 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class I histocompatibility antigen (HLA-B*2705); Beta 2-microglobulin; Model peptide…
- UniProt
- P03989, P61769
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Class I histocompatibility antigen (HLA-B*2705) | protein | 276 | 28% helix, 41% strand | P03989 |
| B, E | Beta 2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C, F | Model peptide sequence - araaaaaaa | protein | 9 | 0% helix, 0% strand | — |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.80 | 0.81 | 77 | empty |
| 2 | 942 | 0.80 | 0.82 | 92 | empty |
| 3 | 151 | 0.75 | 0.93 | 35 | empty |
| 4 | 145 | 0.75 | 0.93 | 33 | empty |
| 5 | 179 | 0.48 | 0.76 | 29 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1333 Ų buried · 25 hydrogen bonds · protein-protein
- D–E · 1305 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 678 Ų buried · 16 hydrogen bonds · protein-protein
- D–F · 671 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 667 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1HSA · The three-dimensional structure of HLA-B27 at 2.1 ångströms resolution suggests a general… · 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 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 P03989
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 1HSA · PDBe 1HSA · UniProt P03989 · UniProt P61769
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