MolNFT v1 · #94527 · protein
Crystal structure of serine acetyltransferase from brucella abortus strain S19
4HZC · Cyse, serine acetyltransferase: “Crystal structure of serine acetyltransferase from brucella abortus strain S19”. X-ray diffraction, 2 ligands (MG, CL), 20 pockets (best druggability 0.86). MolNFT v1 #94527 on GenesisL1: 3D…
- PDB
- 4HZC
- Type
- protein
- Length
- 2,932 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyse, serine acetyltransferase
- UniProt
- B2S6A2
- Ligands
- MG, CL
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, F, H, K, L | Cyse, serine acetyltransferase | protein | 245 | 44% helix, 16% strand | B2S6A2 |
| B, J | Cyse, serine acetyltransferase | protein | 244 | 43% helix, 16% strand | B2S6A2 |
| E | Cyse, serine acetyltransferase | protein | 243 | 44% helix, 16% strand | B2S6A2 |
| G | Cyse, serine acetyltransferase | protein | 242 | 44% helix, 16% strand | B2S6A2 |
| I | Cyse, serine acetyltransferase | protein | 244 | 43% helix, 17% strand | B2S6A2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 9 copies · chains A, F, C, D, G, K, L, H, I, J
- CL · Chloride ion · ion · chains G, K
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 5 copies · chains A, B, C, F, D, E, I, J, G, K
- 15P · Polyethylene glycol (N=34) · additive · chains J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 918 | 0.86 | 0.88 | 127 | MG, TRS, 15P |
| 2 | 1197 | 0.85 | 0.86 | 137 | TRS, MG |
| 3 | 1190 | 0.84 | 0.86 | 112 | empty |
| 4 | 215 | 0.82 | 0.95 | 38 | empty |
| 5 | 202 | 0.81 | 0.96 | 33 | empty |
Interfaces
28 interfaces between chains.
- K–L · 1360 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 1330 Ų buried · 27 hydrogen bonds · protein-protein
- G–H · 1330 Ų buried · 25 hydrogen bonds · protein-protein
- C–E · 1320 Ų buried · 26 hydrogen bonds · protein-protein
- I–K · 1316 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 4HZC · Crystal structure of Serine acetyltransferase from Brucella abortus strain S19 · 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 B2S6A2
- Elsewhere: RCSB PDB 4HZC · PDBe 4HZC · UniProt B2S6A2
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