MolNFT v1 · #146747 · protein
Crystal structure of haemophilus influenzae oppa complex with lgg
6DQT · Periplasmic oligopeptide-binding protein: “Crystal structure of haemophilus influenzae oppa complex with lgg”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.79). MolNFT v1 #146747 on GenesisL1: 3D structure…
- PDB
- 6DQT
- Type
- protein
- Length
- 524 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Periplasmic oligopeptide-binding protein; Leu-gly-gly
- UniProt
- Q4QLH0
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Periplasmic oligopeptide-binding protein | protein | 521 | 34% helix, 22% strand | Q4QLH0 |
| B | Leu-gly-gly | protein | 3 | 0% helix, 33% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.79 | 0.96 | 35 | empty |
| 2 | 72 | 0.51 | 0.85 | 22 | empty |
| 3 | 99 | 0.40 | 0.77 | 21 | empty |
| 4 | 61 | 0.35 | 0.78 | 17 | empty |
| 5 | 50 | 0.31 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 329 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6DQT · Crystal structure of Haemophilus influenzae OppA complex with LGG · 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 Q4QLH0
- Elsewhere: RCSB PDB 6DQT · PDBe 6DQT · UniProt Q4QLH0
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