MolNFT v1 · #104296 · protein
Crystal structure of ABC transporter substrate-binding protein fromdesulfitobacterium hafniense complex with leu
4Q6B · Extracellular ligand-binding receptor: “Crystal structure of ABC transporter substrate-binding protein fromdesulfitobacterium hafniense complex with…”. X-ray diffraction, 2 ligands (LEU, CA), 4 pockets (best druggability 0.64).…
- PDB
- 4Q6B
- Type
- protein
- Length
- 335 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular ligand-binding receptor
- UniProt
- B8FZ96
- Ligands
- LEU, CA
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular ligand-binding receptor | protein | 335 | 44% helix, 22% strand | B8FZ96 |
Ligands and binding sites
- LEU · Leucine · ligand · chains A
- CA · Calcium ion · metal · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.64 | 0.82 | 28 | LEU, EDO |
| 2 | 87 | 0.36 | 0.75 | 19 | empty |
| 3 | 79 | 0.32 | 0.74 | 21 | empty |
| 4 | 54 | 0.27 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 4Q6B · Crystal Structure of ABC Transporter Substrate-Binding Protein fromDesulfitobacterium… · 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 B8FZ96
- Elsewhere: RCSB PDB 4Q6B · PDBe 4Q6B · UniProt B8FZ96
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