MolNFT v1 · #93321 · protein
Crystal structure of human O-glcnac transferase with udp-5SGLCNAC and a peptide substrate
4GYY · Udp-N-acetylglucosamine--peptide N…: “Crystal structure of human O-glcnac transferase with udp-5SGLCNAC and a peptide substrate”. X-ray diffraction, 2 ligands (12V, SO4), 18 pockets (best druggability 0.81). MolNFT v1 #93321 on…
- PDB
- 4GYY
- Type
- protein
- Length
- 1,392 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine--peptide N- acetylglucosaminyltransferase 110 kda subunit; Casein…
- EC
- 2.4.1.255, 2.7.11.1
- UniProt
- O15294, P68400
- Ligands
- 12V, SO4
- Pockets
- 18 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 13% 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 | 693 | 53% helix, 12% strand | O15294 |
| B, D | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 14 | 0% helix, 7% strand | P68400 |
| C | Udp-N-acetylglucosamine--peptide N- acetylglucosaminyltransferase 110 kda subunit (EC 2.4.1.255) | protein | 671 | 52% helix, 13% strand | O15294 |
Ligands and binding sites
- 12V · (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S, 4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3, 4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · 2 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.81 | 0.92 | 53 | 12V |
| 2 | 354 | 0.80 | 0.89 | 62 | 12V |
| 3 | 985 | 0.76 | 0.79 | 78 | empty |
| 4 | 876 | 0.76 | 0.79 | 76 | SO4 |
| 5 | 811 | 0.75 | 0.79 | 80 | SO4 |
Interfaces
3 interfaces between chains.
- A–C · 971 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 767 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 759 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4GYY · Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate · the same entry in another collection · chain D against D, TM-score 1.00
- O15294 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine-- peptide… · a predicted model of the same protein · chain C against A, TM-score 0.99
- P68400 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P68400) · a predicted model of the same protein · chain D against A, TM-score 0.25
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
- Every structure of UniProt P68400
- Elsewhere: RCSB PDB 4GYY · PDBe 4GYY · UniProt O15294 · UniProt P68400
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