MolNFT v1 · #150004 · protein
Crystal structure of native fe-hydrogenase from methanothermobacter marburgensis
6GGU · 5,10-methenyltetrahydromethanopterin hydrogenase: “Crystal structure of native fe-hydrogenase from methanothermobacter marburgensis”. X-ray diffraction, 2 ligands (FE9, SO4), 2 pockets (best druggability 0.69). MolNFT v1 #150004 on…
- PDB
- 6GGU
- Type
- protein
- Length
- 344 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5,10-methenyltetrahydromethanopterin hydrogenase
- EC
- 1.12.98.2
- UniProt
- P32440
- Ligands
- FE9, SO4
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5,10-methenyltetrahydromethanopterin hydrogenase (EC 1.12.98.2) | protein | 344 | 54% helix, 13% strand | P32440 |
Ligands and binding sites
- FE9 · iron-guanylyl pyridinol cofactor · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 628 | 0.69 | 0.77 | 36 | empty |
| 2 | 281 | 0.59 | 0.78 | 38 | FE9 |
Compared structures
- 6GGU · Crystal structure of native FE-hydrogenase from Methanothermobacter marburgensis · the same entry in another collection · chain A against A, TM-score 1.00
- P32440 · AlphaFold monomer V2.0 prediction for 5,10-methenyltetrahydromethanopterin hydrogenase… · a predicted model of the same protein · chain A against A, TM-score 0.80
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 P32440
- Elsewhere: RCSB PDB 6GGU · PDBe 6GGU · UniProt P32440
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