Research workbench
Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase (gta P156L mutant) in complex with udp and deoxy-H-antigen acceptor
Analyse Crystal structure of the fucosylgalactoside alpha N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4C2S
- Type
- protein
- Length
- 581 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histo-blood group abo system transferase
- EC
- 2.4.1.40, 2.4.1.37
- UniProt
- P16442
- Ligands
- DLG, UDP, FUC, MN
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histo-blood group abo system transferase (EC 2.4.1.40, 2.4.1.37) | protein | 291 | 33% helix, 20% strand | P16442 |
| B | Histo-blood group abo system transferase (EC 2.4.1.40, 2.4.1.37) | protein | 290 | 31% helix, 20% strand | P16442 |
Ligands and binding sites
- DLG · hexyl 3-deoxy-beta-D-galactopyranoside · ligand · 2 copies · chains A, B
- UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 429 | 0.76 | 0.85 | 42 | DLG, FUC, MN, UDP |
| 2 | 841 | 0.74 | 0.78 | 56 | empty |
| 3 | 448 | 0.74 | 0.83 | 42 | DLG, FUC, MN, UDP |
| 4 | 82 | 0.37 | 0.77 | 17 | empty |
| 5 | 55 | 0.28 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2402 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 4C2S · Crystal structure of the fucosylgalactoside alpha N- acetylgalactosaminyltransferase (GTA… · the same entry in another collection · chain A against A, TM-score 1.00
- P16442 · AlphaFold monomer V2.0 prediction for histo-blood group abo system transferase (P16442) · a predicted model of the same protein · chain B 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 P16442
- Elsewhere: RCSB PDB 4C2S · PDBe 4C2S · UniProt P16442
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