MolNFT v1 · #39998 · protein
Crystal structure of a putative atth (NE1406) from nitrosomonas europaea at 2.00 a resolution
2ICH: “Crystal structure of a putative atth (NE1406) from nitrosomonas europaea at 2.00 a resolution”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.81). MolNFT v1 #39998 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2ICH
- Type
- protein
- Length
- 643 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative atth
- UniProt
- Q82US3
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative atth | protein | 320 | 2% helix, 60% strand | Q82US3 |
| B | Putative atth | protein | 323 | 2% helix, 60% strand | Q82US3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · chains A, B
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.81 | 0.98 | 21 | NHE |
| 2 | 134 | 0.81 | 0.98 | 23 | NHE |
| 3 | 62 | 0.57 | 0.89 | 21 | empty |
| 4 | 217 | 0.46 | 0.74 | 38 | empty |
| 5 | 52 | 0.32 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1351 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2ICH · Crystal structure of a putative atth (NE1406) from nitrosomonas europaea at 2.00 a… · 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 Q82US3
- Elsewhere: RCSB PDB 2ICH · PDBe 2ICH · UniProt Q82US3
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