MolNFT v1 · #82718 · protein
Crystal structure of TTC0807 complexed with arginine
3VVF · Amino acid ABC transporter, binding protein: “Crystal structure of TTC0807 complexed with arginine”. X-ray diffraction, 2 ligands (ARG, SO4), 5 pockets (best druggability 0.64). MolNFT v1 #82718 on GenesisL1: 3D structure, binding…
- PDB
- 3VVF
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amino acid ABC transporter, binding protein
- UniProt
- Q72JG5
- Ligands
- ARG, SO4
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Amino acid ABC transporter, binding protein | protein | 241 | 37% helix, 31% strand | Q72JG5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.64 | 0.77 | 41 | empty |
| 2 | 109 | 0.44 | 0.77 | 17 | empty |
| 3 | 79 | 0.39 | 0.77 | 18 | empty |
| 4 | 59 | 0.29 | 0.75 | 17 | empty |
| 5 | 50 | 0.24 | 0.73 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 921 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3VVF · Crystal structure of TTC0807 complexed with Arginine · the same entry in another collection · chain A against A, TM-score 1.00
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 Q72JG5
- Elsewhere: RCSB PDB 3VVF · PDBe 3VVF · UniProt Q72JG5
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