Research workbench
Crystal structure of holo moraxella catarrhalis ferric binding protein a in an open conformation
Analyse Crystal structure of holo moraxella catarrhalis ferric binding protein a in an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LI1
- Type
- protein
- Length
- 1,246 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
- FE, CO3
- Pockets
- 13 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | FE(3+) ABC transporter substrate-binding protein | protein | 312 | 47% helix, 19% strand | A0A1E9VR34 |
| C, D | FE(3+) ABC transporter substrate-binding protein | protein | 311 | 48% helix, 18% strand | A0A1E9VR34 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B, C, D
- CO3 · Carbonate ion · ion · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.74 | 0.78 | 90 | CO3, FE |
| 2 | 531 | 0.70 | 0.79 | 56 | CO3 |
| 3 | 188 | 0.69 | 0.87 | 28 | CO3 |
| 4 | 264 | 0.66 | 0.83 | 31 | empty |
| 5 | 75 | 0.54 | 0.87 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 532 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 494 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 287 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 271 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 271 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7LI1 · Crystal structure of holo 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 7LI1 · PDBe 7LI1 · UniProt A0A1E9VR34
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