MolNFT v1 · #60138 · protein
X-ray structure of the [fefe]-hydrogenase maturase hyde from thermotoga maritima
3CIW · Fefe-hydrogenase maturase: “X-ray structure of the [fefe]-hydrogenase maturase hyde from thermotoga maritima”. X-ray diffraction, 5 ligands (CPS, SF4, SAH), 2 pockets (best druggability 0.88). MolNFT v1 #60138 on GenesisL1: 3D…
- PDB
- 3CIW
- Type
- protein
- Length
- 347 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fefe-hydrogenase maturase
- UniProt
- Q9X0Z6
- Ligands
- CPS, SF4, SAH, SAT, CL
- Pockets
- 2 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fefe-hydrogenase maturase | protein | 347 | 42% helix, 13% strand | Q9X0Z6 |
Ligands and binding sites
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 5 copies · chains A
- SF4 · Iron/sulfur cluster · ligand · chains A
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- SAT · sulfoacetic acid · ligand
- CL · Chloride ion · ion · 3 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.88 | 0.95 | 57 | CL, SF4, SAH |
| 2 | 59 | 0.33 | 0.77 | 15 | empty |
Modifications
Observed in the structure: 3 modified (oxidation, nonstandard).
Compared structures
- 3CIW · X-RAY structure of the [FeFe]-hydrogenase maturase HydE from thermotoga maritima · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X0Z6 · AlphaFold monomer V2.0 prediction for [fefe] hydrogenase maturase subunit hyde (Q9X0Z6) · a predicted model of the same protein · 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 Q9X0Z6
- Elsewhere: RCSB PDB 3CIW · PDBe 3CIW · UniProt Q9X0Z6
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