Research workbench
Crystal structure of gpb in complex with sugar (N-[(2E)-3-(biphenyl-4- YL)PROP-2-enoyl]-beta-D-glucopyranosylamine
Analyse Crystal structure of gpb in complex with sugar (N-[(2E)-3-(biphenyl-4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MHS
- Type
- protein
- Length
- 810 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycogen phosphorylase, muscle form
- EC
- 2.4.1.1
- UniProt
- P00489
- Ligands
- 26Q
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycogen phosphorylase, muscle form (EC 2.4.1.1) | protein | 810 | 53% helix, 15% strand | P00489 |
Ligands and binding sites
- 26Q · N-[(2E)-3-(biphenyl-4-yl)prop-2-enoyl]-beta-D-glucopyranosylamine · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.82 | 0.95 | 36 | 26Q |
| 2 | 137 | 0.79 | 0.96 | 39 | empty |
| 3 | 267 | 0.70 | 0.85 | 34 | DMS |
| 4 | 124 | 0.54 | 0.82 | 19 | empty |
| 5 | 207 | 0.52 | 0.77 | 20 | empty |
Modifications
Observed in the structure: 1 modified (cofactor).
Compared structures
- 4MHS · Crystal structure of Gpb in complex with SUGAR… · the same entry in another collection · 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 P00489
- Elsewhere: RCSB PDB 4MHS · PDBe 4MHS · UniProt P00489
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