MolNFT v1 · #156618 · protein
Crystal structure of human O-glcnac transferase bound to a peptide from hcf-1 pro-repeat 2 (11-26) and inhibitor 2A
6MA3 · Udp-N-acetylglucosamine--peptide N…: “Crystal structure of human O-glcnac transferase bound to a peptide from hcf-1 pro-repeat 2 (11-26) and…”. X-ray diffraction, 1 ligand (JAJ), 6 pockets (best druggability 0.80). MolNFT v1 #156618…
- PDB
- 6MA3
- Type
- protein
- Length
- 710 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine--peptide N- acetylglucosaminyltransferase 110 kda subunit; Host…
- EC
- 2.4.1.255
- UniProt
- O15294
- Ligands
- JAJ
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine--peptide N- acetylglucosaminyltransferase 110 kda subunit (EC 2.4.1.255) | protein | 697 | 52% helix, 12% strand | O15294 |
| B | Host cell factor 1 peptide | protein | 13 | 0% helix, 0% strand | — |
Ligands and binding sites
- JAJ · 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl) methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.80 | 0.81 | 68 | empty |
| 2 | 69 | 0.74 | 0.98 | 16 | empty |
| 3 | 663 | 0.71 | 0.78 | 53 | JAJ |
| 4 | 257 | 0.61 | 0.80 | 38 | empty |
| 5 | 99 | 0.35 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1005 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 6MA3 · Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat… · the same entry in another collection · chain A against A, TM-score 1.00
- O15294 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine-- peptide… · 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 O15294
- Elsewhere: RCSB PDB 6MA3 · PDBe 6MA3 · UniProt O15294
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