MolNFT v1 · #111299 · protein
Crystal structure of an amino acid ABC transporter
4YMS · ABC-type polar amino acid transport system, ATPase component: “Crystal structure of an amino acid ABC transporter”. X-ray diffraction, 12 pockets (best druggability 0.69). MolNFT v1 #111299 on GenesisL1: 3D structure, binding sites…
- PDB
- 4YMS
- Type
- protein
- Length
- 909 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC-type polar amino acid transport system, ATPase component; ABC-type amino acid…
- UniProt
- Q8RCC2, Q8RCC3
- Pockets
- 12 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| J, A | ABC-type polar amino acid transport system, ATPase component | protein | 240 | 42% helix, 25% strand | Q8RCC2 |
| D | ABC-type amino acid transport system, permease component | protein | 215 | 83% helix, 0% strand | Q8RCC3 |
| C | ABC-type amino acid transport system, permease component | protein | 214 | 83% helix, 0% strand | Q8RCC3 |
Pockets
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 502 | 0.69 | 0.80 | 53 | empty |
| 2 | 552 | 0.66 | 0.77 | 50 | empty |
| 3 | 91 | 0.38 | 0.75 | 16 | empty |
| 4 | 83 | 0.35 | 0.74 | 16 | empty |
| 5 | 91 | 0.33 | 0.74 | 26 | empty |
Interfaces
4 interfaces between chains.
- D–C · 1628 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 874 Ų buried · 13 hydrogen bonds · protein-protein
- J–C · 874 Ų buried · 13 hydrogen bonds · protein-protein
- J–A · 610 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4YMS · Crystal structure of an amino acid ABC transporter · the same entry in another collection · chain J against J, 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 Q8RCC2
- Every structure of UniProt Q8RCC3
- Elsewhere: RCSB PDB 4YMS · PDBe 4YMS · UniProt Q8RCC2 · UniProt Q8RCC3
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