MolNFT v1 · #91408 · protein
Crystal structure of yersinia pestis glmu in complex with alpha-D- glucosamine 1-phosphate (GP1)
4FCE · Bifunctional protein glmu: “Crystal structure of yersinia pestis glmu in complex with alpha-D- glucosamine 1-phosphate (GP1)”. X-ray diffraction, 2 ligands (GP1, MG), 2 pockets (best druggability 0.63). MolNFT v1 #91408 on…
- PDB
- 4FCE
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein glmu
- EC
- 2.7.7.23, 2.3.1.157
- UniProt
- Q663R0
- Ligands
- GP1, MG
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157) | protein | 441 | 22% helix, 34% strand | Q663R0 |
Ligands and binding sites
- GP1 · 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.63 | 0.76 | 52 | empty |
| 2 | 174 | 0.45 | 0.75 | 27 | empty |
Compared structures
- 4FCE · Crystal structure of Yersinia pestis GlmU in complex with alpha-D-glucosamine 1-phosphate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q663R0 · AlphaFold monomer V2.0 prediction for bifunctional protein glmu (Q663R0) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q663R0
- Elsewhere: RCSB PDB 4FCE · PDBe 4FCE · UniProt Q663R0
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