Research workbench
Crystal structure of protein NMB1881 from neisseria meningitidis
Analyse Crystal structure of protein NMB1881 from neisseria meningitidis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I45
- Type
- protein
- Length
- 974 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q9JXU4
- Pockets
- 16 · best druggability 0.66
Structure
x-ray diffraction · 7 distinct chains · 6% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 96 | 7% helix, 55% strand | Q9JXU4 |
| B | Hypothetical protein | protein | 97 | 6% helix, 57% strand | Q9JXU4 |
| C, G, H | Hypothetical protein | protein | 98 | 4% helix, 55% strand | Q9JXU4 |
| D, F | Hypothetical protein | protein | 99 | 6% helix, 54% strand | Q9JXU4 |
| E | Hypothetical protein | protein | 97 | 7% helix, 58% strand | Q9JXU4 |
| I | Hypothetical protein | protein | 97 | 6% helix, 56% strand | Q9JXU4 |
| J | Hypothetical protein | protein | 95 | 6% helix, 53% strand | Q9JXU4 |
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 480 | 0.66 | 0.78 | 60 | empty |
| 2 | 118 | 0.60 | 0.85 | 20 | empty |
| 3 | 161 | 0.55 | 0.79 | 20 | empty |
| 4 | 182 | 0.54 | 0.78 | 21 | empty |
| 5 | 136 | 0.54 | 0.80 | 17 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1150 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1139 Ų buried · 11 hydrogen bonds · protein-protein
- G–H · 1127 Ų buried · 7 hydrogen bonds · protein-protein
- E–F · 1098 Ų buried · 10 hydrogen bonds · protein-protein
- I–J · 1083 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 2I45 · Crystal structure of protein NMB1881 from Neisseria meningitidis · 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 Q9JXU4
- Elsewhere: RCSB PDB 2I45 · PDBe 2I45 · UniProt Q9JXU4
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