MolNFT v1 · #191418 · protein
Pseudomonas aeruginosa murc with WYH9-2-P - OSA_001044
8DOF · Udp-N-acetylmuramate--L-alanine ligase: “Pseudomonas aeruginosa murc with WYH9-2-P - OSA_001044”. X-ray diffraction, 2 ligands (T4L, SO4), 1 pocket (best druggability 0.58). MolNFT v1 #191418 on GenesisL1: 3D structure, binding…
- PDB
- 8DOF
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylmuramate--L-alanine ligase
- EC
- 6.3.2.8
- UniProt
- Q9HW02
- Ligands
- T4L, SO4
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylmuramate--L-alanine ligase (EC 6.3.2.8) | protein | 301 | 37% helix, 25% strand | Q9HW02 |
Ligands and binding sites
- T4L · (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl) amino]ethan-1-ol · ligand · chains A
- SO4 · Sulfate ion · ion · 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
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 | 106 | 0.58 | 0.85 | 21 | empty |
Compared structures
- 8DOF · Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HW02 · AlphaFold monomer V2.0 prediction for udp-N-acetylmuramate--L-alanine ligase (Q9HW02) · a predicted model of the same protein · chain A against A, TM-score 0.87
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 Q9HW02
- Elsewhere: RCSB PDB 8DOF · PDBe 8DOF · UniProt Q9HW02
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