Research workbench
M.TB AG85C modified at C209 by amino-ebselen
Analyse M.TB AG85C modified at C209 by amino-ebselen in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KWJ
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C
- EC
- 2.3.1.122, 2.3.1.20
- UniProt
- P9WQN8
- Ligands
- 6Y3
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Diacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C (EC 2.3.1.122, 2.3.1.20) | protein | 283 | 37% helix, 17% strand | P9WQN8 |
Ligands and binding sites
- 6Y3 · ~{N}-(4-aminophenyl)-2-selanyl-benzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.74 | 0.97 | 23 | empty |
| 2 | 161 | 0.64 | 0.86 | 37 | empty |
| 3 | 172 | 0.46 | 0.75 | 26 | 6Y3 |
| 4 | 54 | 0.37 | 0.80 | 14 | empty |
| 5 | 76 | 0.32 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 499 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
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 P9WQN8
- Elsewhere: RCSB PDB 5KWJ · PDBe 5KWJ · UniProt P9WQN8
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