MolNFT v1 · #154584 · protein
Nifs from helicobacter pylori, soaked with L-cysteine for 180 sec
6KG1 · Cysteine desulfurase iscs: “Nifs from helicobacter pylori, soaked with L-cysteine for 180 sec”. X-ray diffraction, 2 ligands (PDA, CL), 4 pockets (best druggability 0.39). MolNFT v1 #154584 on GenesisL1: 3D structure, binding sites…
- PDB
- 6KG1
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine desulfurase iscs
- EC
- 2.8.1.7
- UniProt
- O25008
- Ligands
- PDA, CL
- Pockets
- 4 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine desulfurase iscs (EC 2.8.1.7) | protein | 359 | 41% helix, 16% strand | O25008 |
Ligands and binding sites
- PDA · 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid · ligand · chains A
- CL · Chloride ion · ion · chains A
- IPA · Isopropyl alcohol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.39 | 0.80 | 18 | PDA |
| 2 | 99 | 0.38 | 0.75 | 15 | empty |
| 3 | 74 | 0.32 | 0.74 | 15 | IPA |
| 4 | 55 | 0.26 | 0.73 | 15 | empty |
Compared structures
- 6KG1 · NifS from Helicobacter pylori, soaked with L-cysteine for 180 sec · the same entry in another collection · chain A against A, TM-score 1.00
- O25008 · AlphaFold monomer V2.0 prediction for cysteine desulfurase iscs (O25008) · 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 O25008
- Elsewhere: RCSB PDB 6KG1 · PDBe 6KG1 · UniProt O25008
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