Research workbench
Crystal structure of WW/RSP5/WWP domain: bacterial transferase hexapeptide repeat: serine O-acetyltransferase from brucella melitensis
Analyse Crystal structure of WW/RSP5/WWP domain: bacterial transferase hexapeptide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MC4
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- WW/RSP5/WWP DOMAIN:BACTERIAL transferase hexapeptide REPEAT:SERINE O-acetyltransferase
- EC
- 2.3.1.30
- UniProt
- Q2YQG6
- Ligands
- CL
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | WW/RSP5/WWP DOMAIN:BACTERIAL transferase hexapeptide REPEAT:SERINE O-acetyltransferase (EC 2.3.1.30) | protein | 244 | 45% helix, 16% strand | Q2YQG6 |
| B | WW/RSP5/WWP DOMAIN:BACTERIAL transferase hexapeptide REPEAT:SERINE O-acetyltransferase (EC 2.3.1.30) | protein | 238 | 45% helix, 18% strand | Q2YQG6 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 505 | 0.66 | 0.78 | 43 | EDO |
| 2 | 160 | 0.46 | 0.76 | 20 | CL, EDO |
Interfaces
1 interface between chains.
- A–B · 595 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 3MC4 · Crystal structure of WW/RSP5/WWP domain: bacterial transferase hexapeptide repeat: serine… · 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 Q2YQG6
- Elsewhere: RCSB PDB 3MC4 · PDBe 3MC4 · UniProt Q2YQG6
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