MolNFT v1 · #93551 · protein
Complex structure of necl-2 and crtam
4H5S · Cytotoxic and regulatory T-cell molecule: “Complex structure of necl-2 and crtam”. X-ray diffraction, 1 pocket (best druggability 0.25). MolNFT v1 #93551 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4H5S
- Type
- protein
- Length
- 196 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytotoxic and regulatory T-cell molecule; Cell adhesion molecule 1
- UniProt
- O95727, Q9BY67
- Pockets
- 1 · best druggability 0.25
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytotoxic and regulatory T-cell molecule | protein | 96 | 3% helix, 56% strand | O95727 |
| B | Cell adhesion molecule 1 | protein | 100 | 3% helix, 52% strand | Q9BY67 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.25 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 785 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4H5S · Complex structure of Necl-2 and CRTAM · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BY67 · AlphaFold monomer V2.0 prediction for cell adhesion molecule 1 (Q9BY67) · a predicted model of the same protein · chain B against A, TM-score 0.98
- O95727 · AlphaFold monomer V2.0 prediction for cytotoxic and regulatory T-cell molecule (O95727) · a predicted model of the same protein · chain A 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 O95727
- Every structure of UniProt Q9BY67
- Elsewhere: RCSB PDB 4H5S · PDBe 4H5S · UniProt O95727 · UniProt Q9BY67
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.