MolNFT v1 · #105796 · protein
Structure of the mycobacterium tuberculosis aps kinase cysc CYS556ALA mutant
4RFV · Bifunctional enzyme CYSN/CYSC: “Structure of the mycobacterium tuberculosis aps kinase cysc CYS556ALA mutant”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.47). MolNFT v1 #105796 on GenesisL1: 3D structure…
- PDB
- 4RFV
- Type
- protein
- Length
- 283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional enzyme CYSN/CYSC
- EC
- 2.7.7.4, 2.7.1.25
- UniProt
- P9WNM5
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional enzyme CYSN/CYSC (EC 2.7.7.4, 2.7.1.25) | protein | 143 | 45% helix, 16% strand | P9WNM5 |
| B | Bifunctional enzyme CYSN/CYSC (EC 2.7.7.4, 2.7.1.25) | protein | 140 | 46% helix, 16% strand | P9WNM5 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 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 | 128 | 0.47 | 0.78 | 18 | empty |
| 2 | 150 | 0.46 | 0.76 | 19 | empty |
| 3 | 112 | 0.42 | 0.76 | 21 | empty |
| 4 | 62 | 0.40 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 753 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4RFV · Structure of the Mycobacterium tuberculosis APS kinase CysC Cys556Ala mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P9WNM5 · AlphaFold monomer V2.0 prediction for bifunctional enzyme CYSN/CYSC (P9WNM5) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P9WNM5
- Elsewhere: RCSB PDB 4RFV · PDBe 4RFV · UniProt P9WNM5
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