MolNFT v1 · #82708 · protein
Crystal structure of TTC0807 complexed with (S)-2-aminoethyl-L- cysteine (aec)
3VV5 · Amino acid ABC transporter, binding protein: “Crystal structure of TTC0807 complexed with (S)-2-aminoethyl-L- cysteine (aec)”. X-ray diffraction, 2 ligands (SLZ, SO4), 6 pockets (best druggability 0.57). MolNFT v1 #82708 on…
- PDB
- 3VV5
- Type
- protein
- Length
- 475 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
- SLZ, SO4
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amino acid ABC transporter, binding protein | protein | 237 | 39% helix, 31% strand | Q72JG5 |
| B | Amino acid ABC transporter, binding protein | protein | 238 | 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
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.57 | 0.81 | 21 | empty |
| 2 | 215 | 0.47 | 0.74 | 20 | empty |
| 3 | 144 | 0.43 | 0.75 | 20 | empty |
| 4 | 61 | 0.42 | 0.81 | 15 | empty |
| 5 | 87 | 0.41 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3VV5 · Crystal structure of TTC0807 complexed with (S)-2-aminoethyl-L-cysteine (AEC) · the same entry in another collection · chain B against B, 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 3VV5 · PDBe 3VV5 · UniProt Q72JG5
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