MolNFT v1 · #27357 · protein
The crystal structure of udp-galnac: polypeptide alpha-N- acetylgalactosaminyltransferase-T1
1XHB · Polypeptide N-acetylgalactosaminyltransferase 1: “The crystal structure of udp-galnac: polypeptide alpha-N- acetylgalactosaminyltransferase-T1”. X-ray diffraction, 4 ligands (NAG, BMA, CA), 4 pockets (best druggability 0.48). MolNFT…
- PDB
- 1XHB
- Type
- protein
- Length
- 447 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polypeptide N-acetylgalactosaminyltransferase 1
- EC
- 2.4.1.41
- UniProt
- O08912
- Ligands
- NAG, BMA, CA, MN
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polypeptide N-acetylgalactosaminyltransferase 1 (EC 2.4.1.41) | protein | 447 | 28% helix, 28% strand | O08912 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- CA · Calcium ion · metal · 2 copies · chains A
- MN · Manganese (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.48 | 0.86 | 20 | empty |
| 2 | 202 | 0.46 | 0.74 | 35 | empty |
| 3 | 117 | 0.38 | 0.74 | 24 | empty |
| 4 | 51 | 0.31 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1XHB · The Crystal Structure of UDP-GalNAc: polypeptide… · the same entry in another collection · chain A against A, TM-score 1.00
- O08912 · AlphaFold monomer V2.0 prediction for polypeptide N-acetylgalactosaminyltransferase 1… · 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 O08912
- Elsewhere: RCSB PDB 1XHB · PDBe 1XHB · UniProt O08912
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