MolNFT v1 · #24291 · protein
The crystal structure of human CD1B with a bound bacterial glycolipid
1UQS · T-cell surface glycoprotein CD1B: “The crystal structure of human CD1B with a bound bacterial glycolipid”. X-ray diffraction, 1 ligand (GMM), 6 pockets (best druggability 0.87). MolNFT v1 #24291 on GenesisL1: 3D structure, binding…
- PDB
- 1UQS
- Type
- protein
- Length
- 380 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T-cell surface glycoprotein CD1B; Beta-2-microglobulin
- UniProt
- P29016, P01884
- Ligands
- GMM
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T-cell surface glycoprotein CD1B | protein | 280 | 27% helix, 34% strand | P29016 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 51% strand | P01884 |
Ligands and binding sites
- GMM · Glucose monomycolate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 841 | 0.87 | 0.89 | 73 | GMM |
| 2 | 432 | 0.67 | 0.79 | 46 | empty |
| 3 | 180 | 0.46 | 0.75 | 34 | empty |
| 4 | 81 | 0.36 | 0.76 | 17 | empty |
| 5 | 53 | 0.35 | 0.79 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1356 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1UQS · The Crystal Structure of Human CD1b with a Bound Bacterial Glycolipid · the same entry in another collection · chain B against B, TM-score 1.00
- P29016 · AlphaFold monomer V2.0 prediction for T-cell surface glycoprotein CD1B (P29016) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P29016
- Every structure of UniProt P01884
- Elsewhere: RCSB PDB 1UQS · PDBe 1UQS · UniProt P29016 · UniProt P01884
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