MolNFT v1 · #50180 · protein
Crystal structure of the MTH889 protein from methanothermobacter thermautotrophicus. northeast structural genomics consortium target TT205
2RAQ · Conserved protein MTH889: “Crystal structure of the MTH889 protein from methanothermobacter thermautotrophicus. northeast structural…”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.34). MolNFT v1 #50180 on…
- PDB
- 2RAQ
- Type
- protein
- Length
- 652 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved protein MTH889
- UniProt
- O26975
- Ligands
- CA
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F, G | Conserved protein MTH889 | protein | 93 | 22% helix, 40% strand | O26975 |
| B | Conserved protein MTH889 | protein | 94 | 20% helix, 40% strand | O26975 |
Ligands and binding sites
- CA · Calcium ion · metal · 14 copies · chains A, B, G, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.34 | 0.77 | 13 | empty |
| 2 | 57 | 0.31 | 0.75 | 15 | empty |
Interfaces
14 interfaces between chains.
- C–D · 964 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 955 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 951 Ų buried · 11 hydrogen bonds · protein-protein
- A–G · 951 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 938 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 2RAQ · Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus.… · 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 O26975
- Elsewhere: RCSB PDB 2RAQ · PDBe 2RAQ · UniProt O26975
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