MolNFT v1 · #111303 · protein
Crystal structure of an amino acid ABC transporter with histidines
4YMW · ABC-type polar amino acid transport system, ATPase component: “Crystal structure of an amino acid ABC transporter with histidines”. X-ray diffraction, 1 ligand (HIS), 13 pockets (best druggability 0.71). MolNFT v1 #111303 on…
- PDB
- 4YMW
- 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
- Ligands
- HIS
- Pockets
- 13 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 67% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| J, A | ABC-type polar amino acid transport system, ATPase component | protein | 240 | 41% helix, 25% strand | Q8RCC2 |
| D | ABC-type amino acid transport system, permease component | protein | 215 | 84% helix, 0% strand | Q8RCC3 |
| C | ABC-type amino acid transport system, permease component | protein | 214 | 81% helix, 0% strand | Q8RCC3 |
Ligands and binding sites
- HIS · Histidine · ligand · 2 copies · chains D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 596 | 0.71 | 0.79 | 67 | HIS |
| 2 | 565 | 0.66 | 0.76 | 55 | empty |
| 3 | 97 | 0.38 | 0.75 | 15 | empty |
| 4 | 94 | 0.37 | 0.75 | 17 | empty |
| 5 | 66 | 0.34 | 0.75 | 15 | empty |
Interfaces
4 interfaces between chains.
- D–C · 1626 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 874 Ų buried · 12 hydrogen bonds · protein-protein
- J–C · 854 Ų buried · 12 hydrogen bonds · protein-protein
- J–A · 563 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4YMW · Crystal structure of an amino acid ABC transporter with histidines · the same entry in another collection · chain C against C, 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 4YMW · PDBe 4YMW · UniProt Q8RCC2 · UniProt Q8RCC3
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