MolNFT v1 · #125163 · protein
Human POGLUT1 in complex with EGF(+) and udp-phosphono-glucose
5L0U · Protein O-glucosyltransferase 1: “Human POGLUT1 in complex with EGF(+) and udp-phosphono-glucose”. X-ray diffraction, 3 ligands (660, NAG, CA), 4 pockets (best druggability 0.81). MolNFT v1 #125163 on GenesisL1: 3D structure…
- PDB
- 5L0U
- Type
- protein
- Length
- 396 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein O-glucosyltransferase 1; EGF(+)
- EC
- 2.4.1.-, 2.4.2.26
- UniProt
- Q8NBL1
- Ligands
- 660, NAG, CA
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein O-glucosyltransferase 1 (EC 2.4.1.-, 2.4.2.26) | protein | 356 | 42% helix, 16% strand | Q8NBL1 |
| B | EGF(+) | protein | 40 | 10% helix, 30% strand | — |
Ligands and binding sites
- 660 · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene) pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S}, 6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- CA · Calcium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 402 | 0.81 | 0.89 | 47 | 660 |
| 2 | 61 | 0.34 | 0.77 | 16 | empty |
| 3 | 66 | 0.32 | 0.75 | 17 | empty |
| 4 | 60 | 0.28 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 749 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 5L0U · human POGLUT1 in complex with EGF(+) and UDP-phosphono-glucose · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NBL1 · AlphaFold monomer V2.0 prediction for protein O-glucosyltransferase 1 (Q8NBL1) · a predicted model of the same protein · 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 Q8NBL1
- Elsewhere: RCSB PDB 5L0U · PDBe 5L0U · UniProt Q8NBL1
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