Research workbench
Crystal structure of the ALR3790 protein from anabaena sp. northeast structural genomics consortium target NSR437H
Analyse Crystal structure of the ALR3790 protein from anabaena sp. northeast structural… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ILM
- Type
- protein
- Length
- 491 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALR3790 protein
- UniProt
- Q8YQN0
- Ligands
- MN
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALR3790 protein | protein | 112 | 46% helix, 19% strand | Q8YQN0 |
| B | ALR3790 protein | protein | 128 | 48% helix, 16% strand | Q8YQN0 |
| C | ALR3790 protein | protein | 126 | 50% helix, 17% strand | Q8YQN0 |
| D | ALR3790 protein | protein | 125 | 49% helix, 17% strand | Q8YQN0 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 599 | 0.86 | 0.91 | 51 | MN |
| 2 | 793 | 0.76 | 0.80 | 48 | MN |
| 3 | 267 | 0.57 | 0.78 | 34 | empty |
| 4 | 69 | 0.32 | 0.75 | 13 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1262 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1090 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 468 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3ILM · Crystal Structure of the Alr3790 protein from Anabaena sp. Northeast Structural Genomics… · 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 Q8YQN0
- Elsewhere: RCSB PDB 3ILM · PDBe 3ILM · UniProt Q8YQN0
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