MolNFT v1 · #105731 · protein
The structure of N-formimino-L-glutamate iminohydrolase from pseudomonas aeruginosa complexed with N-guanidino-L-glutaric acid
4RDW: “The structure of N-formimino-L-glutamate iminohydrolase from pseudomonas aeruginosa complexed with…”. X-ray diffraction, 2 ligands (NGQ, ZN), 4 pockets (best druggability 0.72). MolNFT v1 #105731 on GenesisL1: 3D structure, binding…
- PDB
- 4RDW
- Type
- protein
- Length
- 451 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-formimino-L-glutamate iminohydrolase
- UniProt
- Q9HU77
- Ligands
- NGQ, ZN
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-formimino-L-glutamate iminohydrolase | protein | 451 | 42% helix, 22% strand | Q9HU77 |
Ligands and binding sites
- NGQ · N-carbamimidoyl-L-glutamic acid · ligand · chains A
- ZN · Zinc ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.72 | 0.98 | 20 | NGQ |
| 2 | 70 | 0.39 | 0.79 | 18 | empty |
| 3 | 55 | 0.28 | 0.75 | 15 | empty |
| 4 | 54 | 0.26 | 0.73 | 12 | empty |
Compared structures
- 4RDW · The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa… · 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 Q9HU77
- Elsewhere: RCSB PDB 4RDW · PDBe 4RDW · UniProt Q9HU77
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