MolNFT v1 · #46077 · protein
Crystal structure of puro from methanothermobacter thermoautotrophicus
2NTM · Imp cyclohydrolase: “Crystal structure of puro from methanothermobacter thermoautotrophicus”. X-ray diffraction, 8 pockets (best druggability 0.77). MolNFT v1 #46077 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2NTM
- Type
- protein
- Length
- 811 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imp cyclohydrolase
- EC
- 3.5.4.10
- UniProt
- O27099
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Imp cyclohydrolase (EC 3.5.4.10) | protein | 202 | 21% helix, 40% strand | O27099 |
| D | Imp cyclohydrolase (EC 3.5.4.10) | protein | 205 | 20% helix, 40% strand | O27099 |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 749 | 0.77 | 0.81 | 72 | empty |
| 2 | 745 | 0.76 | 0.81 | 67 | empty |
| 3 | 185 | 0.47 | 0.75 | 30 | empty |
| 4 | 92 | 0.47 | 0.81 | 18 | empty |
| 5 | 82 | 0.46 | 0.82 | 16 | empty |
Interfaces
6 interfaces between chains.
- A–D · 866 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 843 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 660 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 656 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 310 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2NTM · Crystal structure of PurO from Methanothermobacter thermoautotrophicus · the same entry in another collection · chain A against A, TM-score 1.00
- O27099 · AlphaFold monomer V2.0 prediction for imp cyclohydrolase (O27099) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O27099
- Elsewhere: RCSB PDB 2NTM · PDBe 2NTM · UniProt O27099
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