MolNFT v1 · #153956 · protein
Crystal structure of klebsiella pneumoniae cyse in complex with L- cysteine
6JVU · Serine acetyltransferase: “Crystal structure of klebsiella pneumoniae cyse in complex with L- cysteine”. X-ray diffraction, 2 ligands (CYS, PO4), 18 pockets (best druggability 0.81). MolNFT v1 #153956 on GenesisL1: 3D structure…
- PDB
- 6JVU
- Type
- protein
- Length
- 1,517 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine acetyltransferase
- EC
- 2.3.1.30
- UniProt
- Q0ZB96
- Ligands
- CYS, PO4
- Pockets
- 18 · best druggability 0.81
Structure
x-ray diffraction · 5 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Serine acetyltransferase (EC 2.3.1.30) | protein | 255 | 42% helix, 14% strand | Q0ZB96 |
| B | Serine acetyltransferase (EC 2.3.1.30) | protein | 253 | 43% helix, 13% strand | Q0ZB96 |
| C | Serine acetyltransferase (EC 2.3.1.30) | protein | 252 | 43% helix, 15% strand | Q0ZB96 |
| E | Serine acetyltransferase (EC 2.3.1.30) | protein | 251 | 43% helix, 15% strand | Q0ZB96 |
| F | Serine acetyltransferase (EC 2.3.1.30) | protein | 251 | 43% helix, 15% strand | Q0ZB96 |
Ligands and binding sites
- CYS · Cysteine · ligand · 6 copies · chains A, C, B, D, F, E
- PO4 · Phosphate ion · ion · 2 copies · chains A, B, C, D, E, F
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.81 | 0.89 | 62 | empty |
| 2 | 384 | 0.80 | 0.89 | 61 | EDO |
| 3 | 245 | 0.80 | 0.93 | 54 | CYS |
| 4 | 398 | 0.80 | 0.88 | 62 | empty |
| 5 | 226 | 0.79 | 0.92 | 57 | CYS |
Interfaces
15 interfaces between chains.
- D–E · 1326 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1324 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1227 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 1205 Ų buried · 10 hydrogen bonds · protein-protein
- D–F · 1177 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6JVU · Crystal structure of Klebsiella pneumoniae CysE in complex with L-cysteine · the same entry in another collection · 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 Q0ZB96
- Elsewhere: RCSB PDB 6JVU · PDBe 6JVU · UniProt Q0ZB96
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