Research workbench
Crystal structure of AG85C co-crystallized with P-chloromercuribenzoic acid
Analyse Crystal structure of AG85C co-crystallized with P-chloromercuribenzoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QDO
- Type
- protein
- Length
- 270 residues
- Chains
- 1
- 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
- P9WQN9
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C (EC 2.3.1.122, 2.3.1.20) | protein | 270 | 39% helix, 17% strand | P9WQN9 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains A
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 | 289 | 0.63 | 0.80 | 42 | empty |
| 2 | 61 | 0.34 | 0.77 | 17 | empty |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 4QDO · Crystal structure of Ag85C co-crystallized with p-chloromercuribenzoic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P9WQN9 · AlphaFold monomer V2.0 prediction for diacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P9WQN9
- Elsewhere: RCSB PDB 4QDO · PDBe 4QDO · UniProt P9WQN9
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