MolNFT v1 · #113105 · protein
Crystal structure of murd ligase from escherichia COLI
5A5E · Udp-N-acetylmuramoylalanine--D-glutamate ligase: “Crystal structure of murd ligase from escherichia COLI”. X-ray diffraction, 2 ligands (NI, SO4), 4 pockets (best druggability 0.58). MolNFT v1 #113105 on GenesisL1: 3D structure…
- PDB
- 5A5E
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylmuramoylalanine--D-glutamate ligase
- EC
- 6.3.2.9
- UniProt
- P14900
- Ligands
- NI, SO4
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylmuramoylalanine--D-glutamate ligase (EC 6.3.2.9) | protein | 431 | 37% helix, 22% strand | P14900 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.58 | 0.80 | 43 | SO4 |
| 2 | 219 | 0.52 | 0.76 | 31 | SO4 |
| 3 | 166 | 0.52 | 0.79 | 19 | empty |
| 4 | 58 | 0.29 | 0.74 | 9 | empty |
Compared structures
- 5A5E · Crystal structure of murd ligase from escherichia COLI · the same entry in another collection · chain A against A, TM-score 1.00
- P14900 · AlphaFold monomer V2.0 prediction for udp-N-acetylmuramoylalanine-- D-glutamate ligase… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P14900
- Elsewhere: RCSB PDB 5A5E · PDBe 5A5E · UniProt P14900
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