Research workbench
Crystal structure of S. pneumoniae hungary 19A MURA1 in complex with citrate
Analyse Crystal structure of S. pneumoniae hungary 19A MURA1 in complex with citrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZH4
- Type
- protein
- Length
- 411 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
- B1IBM3
- Pockets
- 2 · best druggability 0.72
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 | 411 | 35% helix, 27% strand | B1IBM3 |
Ligands and binding sites
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 | 421 | 0.72 | 0.83 | 43 | FLC, PEG |
| 2 | 56 | 0.28 | 0.74 | 18 | empty |
Compared structures
- 3ZH4 · crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate · the same entry in another collection · chain A against A, TM-score 1.00
- B1IBM3 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine 1-carboxyvinyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 B1IBM3
- Elsewhere: RCSB PDB 3ZH4 · PDBe 3ZH4 · UniProt B1IBM3
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