MolNFT v1 · #49579 · protein
Crystal structure of putative hydrogenase EXPRESSION/FORMATION protein hupg from rhodopseudomonas palustris CGA009
2QSI: “Crystal structure of putative hydrogenase EXPRESSION/FORMATION protein hupg from rhodopseudomonas palustris…”. X-ray diffraction, 2 pockets (best druggability 0.51). MolNFT v1 #49579 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2QSI
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hydrogenase EXPRESSION/FORMATION protein hupg
- UniProt
- Q6NB62
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative hydrogenase EXPRESSION/FORMATION protein hupg | protein | 112 | 41% helix, 25% strand | Q6NB62 |
Ligands and binding sites
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.51 | 0.77 | 26 | empty |
| 2 | 131 | 0.39 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2162 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 2 covalent (engineered, additive adduct).
Compared structures
- 2QSI · Crystal structure of putative hydrogenase expression/formation protein hupG from… · the same entry in another collection · chain B against B, 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 Q6NB62
- Elsewhere: RCSB PDB 2QSI · PDBe 2QSI · UniProt Q6NB62
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