Research workbench
Crystal structure of XAC1771, a novel carbohydrate acetylesterase from xanthomonas citri
Analyse Crystal structure of XAC1771, a novel carbohydrate acetylesterase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KMM
- Type
- protein
- Length
- 867 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sialic acid-specific 9-O-acetylesterase
- UniProt
- Q8PLM4
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sialic acid-specific 9-O-acetylesterase | protein | 435 | 23% helix, 31% strand | Q8PLM4 |
| B | Sialic acid-specific 9-O-acetylesterase | protein | 432 | 23% helix, 32% strand | Q8PLM4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 13 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.80 | 0.82 | 75 | ZN |
| 2 | 196 | 0.62 | 0.82 | 32 | empty |
| 3 | 217 | 0.59 | 0.80 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 428 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 7KMM · Crystal structure of XAC1771, a novel carbohydrate acetylesterase from Xanthomonas citri · 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 Q8PLM4
- Elsewhere: RCSB PDB 7KMM · PDBe 7KMM · UniProt Q8PLM4
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