MolNFT v1 · #64940 · protein
Crystal structure of apct K158A transporter bound to 7F11 monoclonal Fab fragment
3GI8 · Uncharacterized protein MJ0609: “Crystal structure of apct K158A transporter bound to 7F11 monoclonal Fab fragment”. X-ray diffraction, 13 pockets (best druggability 0.60). MolNFT v1 #64940 on GenesisL1: 3D structure, binding sites…
- PDB
- 3GI8
- Type
- protein
- Length
- 875 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein MJ0609; 7F11 anti-apct monoclonal Fab light chain; 7F11 anti-apct…
- UniProt
- Q58026
- Pockets
- 13 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Uncharacterized protein MJ0609 | protein | 435 | 77% helix, 0% strand | Q58026 |
| L | 7F11 anti-apct monoclonal Fab light chain | protein | 220 | 5% helix, 51% strand | — |
| H | 7F11 anti-apct monoclonal Fab heavy chain | protein | 220 | 7% helix, 54% strand | — |
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 471 | 0.60 | 0.75 | 47 | empty |
| 2 | 145 | 0.58 | 0.83 | 28 | empty |
| 3 | 165 | 0.57 | 0.82 | 24 | empty |
| 4 | 106 | 0.39 | 0.76 | 21 | empty |
| 5 | 106 | 0.38 | 0.76 | 24 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1962 Ų buried · 14 hydrogen bonds · protein-protein
- C–H · 823 Ų buried · 9 hydrogen bonds · protein-protein
- C–L · 115 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 3GI8 · Crystal Structure of ApcT K158A Transporter Bound to 7F11 Monoclonal Fab Fragment · the same entry in another collection · chain C against C, TM-score 1.00
- Q58026 · AlphaFold monomer V2.0 prediction for uncharacterized protein MJ0609 (Q58026) · a predicted model of the same protein · chain C against A, TM-score 0.92
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 Q58026
- Elsewhere: RCSB PDB 3GI8 · PDBe 3GI8 · UniProt Q58026
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