Research workbench
The structure of N-formimino-L-glutamate iminohydrolase from pseudomonas aeruginosa complexed with N-formimino-L-aspartate, soaked with mercury
Analyse The structure of N-formimino-L-glutamate iminohydrolase from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RZB
- Type
- protein
- Length
- 902 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-formimino-L-glutamate iminohydrolase
- UniProt
- Q9HU77
- Ligands
- NFQ, HG, ZN, SO4
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | N-formimino-L-glutamate iminohydrolase | protein | 451 | 41% helix, 23% strand | Q9HU77 |
Ligands and binding sites
- NFQ · N-[(E)-iminomethyl]-L-aspartic acid · ligand · 2 copies · chains A, B
- HG · Mercury (II) ion · metal · 6 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 922 | 0.81 | 0.84 | 70 | empty |
| 2 | 56 | 0.72 | 0.99 | 20 | NFQ |
| 3 | 60 | 0.72 | 0.98 | 20 | NFQ |
| 4 | 81 | 0.44 | 0.80 | 16 | empty |
| 5 | 95 | 0.41 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2891 Ų buried · 70 hydrogen bonds · protein-protein
Compared structures
- 4RZB · 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 4RZB · PDBe 4RZB · UniProt Q9HU77
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