Research workbench
Crystal structure of P. aeruginosa murb in complex with NADP+
Analyse Crystal structure of P. aeruginosa murb in complex with NADP+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JB1
- Type
- protein
- Length
- 337 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylenolpyruvoylglucosamine reductase
- EC
- 1.1.1.158
- UniProt
- Q9HZM7
- Ligands
- FAD, NAP
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylenolpyruvoylglucosamine reductase (EC 1.1.1.158) | protein | 337 | 30% helix, 28% strand | Q9HZM7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- GOL · Glycerol · additive · 6 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 | 912 | 0.81 | 0.83 | 83 | FAD, NAP, GOL |
| 2 | 52 | 0.35 | 0.79 | 16 | GOL |
Compared structures
- 4JB1 · Crystal structure of P. aeruginosa MurB in complex with NADP+ · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HZM7 · AlphaFold monomer V2.0 prediction for udp-N- acetylenolpyruvoylglucosamine reductase… · 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 Q9HZM7
- Elsewhere: RCSB PDB 4JB1 · PDBe 4JB1 · UniProt Q9HZM7
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