MolNFT v1 · #123421 · protein
Crystal structure of double mutant (Q96A-Y125A) O-acetyl serine sulfhydralase from brucella abortus
5JJC · Cysteine synthase: “Crystal structure of double mutant (Q96A-Y125A) O-acetyl serine sulfhydralase from brucella abortus”. X-ray diffraction, 8 pockets (best druggability 0.79). MolNFT v1 #123421 on GenesisL1: 3D structure, binding…
- PDB
- 5JJC
- Type
- protein
- Length
- 1,324 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine synthase
- EC
- 2.5.1.47
- UniProt
- A0A0F6AQU1
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cysteine synthase (EC 2.5.1.47) | protein | 331 | 45% helix, 17% strand | A0A0F6AQU1 |
Pockets
8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 728 | 0.79 | 0.83 | 78 | empty |
| 2 | 311 | 0.76 | 0.88 | 43 | empty |
| 3 | 295 | 0.76 | 0.88 | 35 | empty |
| 4 | 483 | 0.69 | 0.80 | 46 | empty |
| 5 | 469 | 0.68 | 0.80 | 41 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1793 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1769 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 182 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 168 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 164 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 5JJC · Crystal Structure of double mutant (Q96A-Y125A) O-Acetyl Serine Sulfhydralase from… · 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 A0A0F6AQU1
- Elsewhere: RCSB PDB 5JJC · PDBe 5JJC · UniProt A0A0F6AQU1
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