MolNFT v1 · #188230 · protein
Crystal structure of udp-N-acetylmuramoylalanine-D-glutamate ligase from acinetobacter baumannii AB5075-uw in complex with ADP
7TI7 · Udp-N-acetylmuramoylalanine--D-glutamate ligase: “Crystal structure of udp-N-acetylmuramoylalanine-D-glutamate ligase from acinetobacter baumannii AB5075-uw in…”. X-ray diffraction, 4 ligands (ADP, MG, CA), 1 pocket (best…
- PDB
- 7TI7
- Type
- protein
- Length
- 442 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
- A0A0B9W6J3
- Ligands
- ADP, MG, CA, CL
- Pockets
- 1 · best druggability 0.74
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 | 442 | 37% helix, 22% strand | A0A0B9W6J3 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 901 | 0.74 | 0.78 | 101 | ADP, MG, EDO, CL, CA |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 7TI7 · Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate ligase from Acinetobacter… · 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 A0A0B9W6J3
- Elsewhere: RCSB PDB 7TI7 · PDBe 7TI7 · UniProt A0A0B9W6J3
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