MolNFT v1 · #181020 · protein
Crystal structure of apo moraxella catarrhalis ferric binding protein a in an open conformation
7LI0 · FE(3+) ABC transporter substrate-binding protein: “Crystal structure of apo moraxella catarrhalis ferric binding protein a in an open conformation”. X-ray diffraction, 2 ligands (NA, CO3), 11 pockets (best druggability 0.76). MolNFT…
- PDB
- 7LI0
- Type
- protein
- Length
- 1,248 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FE(3+) ABC transporter substrate-binding protein
- UniProt
- A0A1E9VR34
- Ligands
- NA, CO3
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | FE(3+) ABC transporter substrate-binding protein | protein | 312 | 47% helix, 19% strand | A0A1E9VR34 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, D, C
- CO3 · Carbonate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains C, D
- PEG · Di(hydroxyethyl)ether · additive · chains A, C
- CIT · Citric acid · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1034 | 0.76 | 0.79 | 89 | GOL, CIT |
| 2 | 1121 | 0.76 | 0.78 | 110 | NA, CO3 |
| 3 | 242 | 0.70 | 0.85 | 28 | empty |
| 4 | 224 | 0.70 | 0.86 | 25 | empty |
| 5 | 83 | 0.54 | 0.86 | 20 | NA |
Interfaces
5 interfaces between chains.
- C–D · 618 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 576 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 289 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 285 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 285 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7LI0 · Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open… · 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 A0A1E9VR34
- Elsewhere: RCSB PDB 7LI0 · PDBe 7LI0 · UniProt A0A1E9VR34
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