MolNFT v1 · #23549 · protein
Crystal structure of mouse TCR 172.10 complexed with MHC class II I-au molecule at 2.4 a
1U3H · T-cell receptor alpha-chain: “Crystal structure of mouse TCR 172.10 complexed with MHC class II I-au molecule at 2.4 a”. X-ray diffraction, 17 pockets (best druggability 0.70). MolNFT v1 #23549 on GenesisL1: 3D structure, binding…
- PDB
- 1U3H
- Type
- protein
- Length
- 1,208 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T-cell receptor alpha-chain; Mouse tcrvbeta 172.10, extracellular variable domain; H-2…
- UniProt
- Q5R1B3, P04213, P14438, P06344
- Pockets
- 17 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | T-cell receptor alpha-chain | protein | 110 | 3% helix, 52% strand | Q5R1B3 |
| B, F | Mouse tcrvbeta 172.10, extracellular variable domain | protein | 111 | 3% helix, 44% strand | P04213 |
| C, G | H-2 class II histocompatibility antigen, a-U alpha chain | protein | 182 | 14% helix, 45% strand | P14438 |
| D, H | H-2 class II histocompatibility antigen, a-U beta chain | protein | 189 | 17% helix, 44% strand | P06344 |
| P, I | Myelin basic protein (mbp)-peptide | protein | 12 | 0% helix, 8% strand | — |
Pockets
17 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.70 | 0.97 | 23 | empty |
| 2 | 120 | 0.58 | 0.85 | 34 | empty |
| 3 | 303 | 0.51 | 0.73 | 39 | empty |
| 4 | 218 | 0.51 | 0.76 | 28 | empty |
| 5 | 227 | 0.50 | 0.75 | 32 | empty |
Interfaces
22 interfaces between chains.
- G–H · 2739 Ų buried · 47 hydrogen bonds · protein-protein
- C–D · 2685 Ų buried · 46 hydrogen bonds · protein-protein
- E–F · 774 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 752 Ų buried · 11 hydrogen bonds · protein-protein
- D–P · 669 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1U3H · Crystal structure of mouse TCR 172.10 complexed with MHC class II I-Au molecule at 2.4 A · the same entry in another collection · chain I against I, TM-score 1.00
- P14438 · AlphaFold monomer V2.0 prediction for H-2 class II histocompatibility antigen, a-U alpha… · a predicted model of the same protein · chain C against A, TM-score 0.98
- P04213 · AlphaFold monomer V2.0 prediction for T-cell receptor beta chain V region C5 (P04213) · a predicted model of the same protein · chain B 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 Q5R1B3
- Every structure of UniProt P04213
- Every structure of UniProt P14438
- Every structure of UniProt P06344
- Elsewhere: RCSB PDB 1U3H · PDBe 1U3H · UniProt Q5R1B3 · UniProt P04213 · UniProt P14438 · UniProt P06344
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