MolNFT v1 · #62668 · protein
Crystal structure of haemophilus influenzae HIABD2
3EMF · Hia (adhesin): “Crystal structure of haemophilus influenzae HIABD2”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #62668 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EMF
- Type
- protein
- Length
- 336 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hia (adhesin)
- UniProt
- Q48152
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hia (adhesin) | protein | 113 | 12% helix, 35% strand | Q48152 |
| B | Hia (adhesin) | protein | 110 | 15% helix, 40% strand | Q48152 |
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 | 118 | 0.79 | 0.98 | 22 | empty |
| 2 | 112 | 0.41 | 0.77 | 22 | empty |
| 3 | 87 | 0.38 | 0.77 | 22 | empty |
| 4 | 85 | 0.35 | 0.76 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1935 Ų buried · 44 hydrogen bonds · protein-protein
- A–C · 1914 Ų buried · 47 hydrogen bonds · protein-protein
- A–B · 1887 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 3EMF · Crystal structure of Haemophilus influenzae HiaBD2 · 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 Q48152
- Elsewhere: RCSB PDB 3EMF · PDBe 3EMF · UniProt Q48152
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