MolNFT v1 · #90516 · protein
Ferric binding protein in apo form 2
4ELP · Iron ABC transporter, periplasmic iron-binding protein: “Ferric binding protein in apo form 2”. X-ray diffraction, 1 ligand (CO3), 14 pockets (best druggability 0.62). MolNFT v1 #90516 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ELP
- Type
- protein
- Length
- 1,232 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron ABC transporter, periplasmic iron-binding protein
- UniProt
- Q5SHV2
- Ligands
- CO3
- Pockets
- 14 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Iron ABC transporter, periplasmic iron-binding protein | protein | 308 | 45% helix, 17% strand | Q5SHV2 |
Ligands and binding sites
- CO3 · Carbonate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 411 | 0.62 | 0.77 | 53 | CO3 |
| 2 | 230 | 0.54 | 0.77 | 35 | empty |
| 3 | 157 | 0.52 | 0.79 | 27 | empty |
| 4 | 165 | 0.50 | 0.78 | 28 | empty |
| 5 | 239 | 0.50 | 0.75 | 30 | CO3 |
Interfaces
3 interfaces between chains.
- C–D · 1045 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1042 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 246 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4ELP · Ferric binding protein in apo form 2 · 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 Q5SHV2
- Elsewhere: RCSB PDB 4ELP · PDBe 4ELP · UniProt Q5SHV2
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