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Crystal structure of mura from clostridium difficile, mutation C116S, in the presence of uridine-diphosphate-2(N-acetylglucosaminyl) butyric acid
Analyse Crystal structure of mura from clostridium difficile, mutation C116S, in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Q11
- Type
- protein
- Length
- 416 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine 1-carboxyvinyltransferase
- EC
- 2.5.1.7
- UniProt
- Q18CL1
- Ligands
- EPU, NA
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine 1-carboxyvinyltransferase (EC 2.5.1.7) | protein | 416 | 35% helix, 27% strand | Q18CL1 |
Ligands and binding sites
- EPU · Uridine-diphosphate-2(N-acetylglucosaminyl) butyric acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 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 | 659 | 0.81 | 0.85 | 60 | EPU, EDO |
| 2 | 56 | 0.32 | 0.77 | 20 | empty |
Compared structures
- 6Q11 · Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of… · 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 Q18CL1
- Elsewhere: RCSB PDB 6Q11 · PDBe 6Q11 · UniProt Q18CL1
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