Research workbench
Cryo-EM structure of human ntcp (wild-type) complexed with YN69202FAB
Analyse Cryo-EM structure of human ntcp (wild-type) complexed with YN69202FAB in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7WSI
- Type
- protein
- Length
- 743 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SODIUM/BILE acid cotransporter; Fab heavy chain from antibody IgG clone number YN69202…
- UniProt
- Q14973
- Pockets
- 9 · best druggability 0.71
Structure
electron microscopy · 3 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SODIUM/BILE acid cotransporter | protein | 306 | 75% helix, 0% strand | Q14973 |
| H | Fab heavy chain from antibody IgG clone number YN69202 | protein | 221 | 5% helix, 48% strand | — |
| L | Fab light chain from antibody IgG clone number YN69202 | protein | 216 | 2% helix, 40% strand | — |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 845 | 0.71 | 0.76 | 63 | empty |
| 2 | 174 | 0.51 | 0.78 | 30 | empty |
| 3 | 241 | 0.51 | 0.75 | 36 | empty |
| 4 | 127 | 0.49 | 0.79 | 21 | empty |
| 5 | 117 | 0.48 | 0.79 | 12 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1768 Ų buried · 10 hydrogen bonds · protein-protein
- A–H · 765 Ų buried · 7 hydrogen bonds · protein-protein
- A–L · 439 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7WSI · Cryo-EM structure of human NTCP (wild-type) complexed with YN69202Fab · the same entry in another collection · chain A against A, TM-score 1.00
- Q14973 · AlphaFold monomer V2.0 prediction for SODIUM/BILE acid cotransporter (Q14973) · a predicted model of the same protein · chain A against A, TM-score 0.80
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 Q14973
- Elsewhere: RCSB PDB 7WSI · PDBe 7WSI · UniProt Q14973
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