Research workbench
FE(CO)2CNCL species bound [hyde from T. maritima
Analyse FE(CO)2CNCL species bound [hyde from T. maritima in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O1T
- Type
- protein
- Length
- 356 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- [fefe] hydrogenase maturase subunit hyde
- EC
- 1.8.-.-
- UniProt
- Q9X0Z6
- Ligands
- CYS, PYR, 5X8, CPS, SF4, FE2, CMO, CYN, CL, IOD
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | [fefe] hydrogenase maturase subunit hyde (EC 1.8.-.-) | protein | 356 | 42% helix, 13% strand | Q9X0Z6 |
Ligands and binding sites
- CYS · Cysteine · ligand · chains A
- PYR · Pyruvic acid · ligand · chains A
- 5X8 · S-adenosyl-L-cysteine · ligand · chains A
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A
- SF4 · Iron/sulfur cluster · ligand · chains A
- FE2 · Fe (II) ion · metal · 2 copies · chains A
- CMO · Carbon monoxide · ion · 4 copies · chains A
- CYN · Cyanide ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- IOD · Iodide ion · ion · 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 | 389 | 0.87 | 0.95 | 51 | CYS, FE2, CMO, CYN, 5X8, SF4, CL, IOD |
| 2 | 202 | 0.50 | 0.77 | 23 | empty |
Compared structures
- 7O1T · Fe(CO)2CNCl species bound [HydE from T. 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 0.97
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 7O1T · PDBe 7O1T · UniProt Q9X0Z6
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