MolNFT v1 · #70690 · protein
Crystal structure of the C-terminal domain (residues 78-226) of PF1911 hydrogenase from pyrococcus furiosus, northeast structural genomics consortium target PFR246A
3LRX · Putative hydrogenase: “Crystal structure of the C-terminal domain (residues 78-226) of PF1911 hydrogenase from pyrococcus furiosus…”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #70690 on GenesisL1: 3D…
- PDB
- 3LRX
- Type
- protein
- Length
- 780 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hydrogenase
- EC
- 1.18.1.2
- UniProt
- Q8TZS3
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative hydrogenase (EC 1.18.1.2) | protein | 132 | 46% helix, 22% strand | Q8TZS3 |
| C | Putative hydrogenase (EC 1.18.1.2) | protein | 129 | 44% helix, 22% strand | Q8TZS3 |
| D | Putative hydrogenase (EC 1.18.1.2) | protein | 131 | 43% helix, 24% strand | Q8TZS3 |
| E | Putative hydrogenase (EC 1.18.1.2) | protein | 129 | 43% helix, 22% strand | Q8TZS3 |
| F | Putative hydrogenase (EC 1.18.1.2) | protein | 127 | 46% helix, 23% strand | Q8TZS3 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 600 | 0.72 | 0.80 | 71 | empty |
| 2 | 594 | 0.72 | 0.79 | 91 | empty |
| 3 | 335 | 0.67 | 0.81 | 51 | empty |
| 4 | 228 | 0.53 | 0.77 | 28 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1126 Ų buried · 0 hydrogen bonds · protein-protein
- E–F · 1104 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 1013 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 684 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 682 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 3LRX · Crystal Structure of the C-terminal domain (residues 78-226) of PF1911 hydrogenase from… · 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 Q8TZS3
- Elsewhere: RCSB PDB 3LRX · PDBe 3LRX · UniProt Q8TZS3
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