MolNFT v1 · #98137 · protein
Crystal structure of the maleamate amidase AMI(C149A) in complex with maleate from pseudomonas putida S16
4L08 · Hydrolase, isochorismatase family: “Crystal structure of the maleamate amidase AMI(C149A) in complex with maleate from pseudomonas putida S16”. X-ray diffraction, 1 ligand (MAE), 9 pockets (best druggability 0.86). MolNFT v1 #98137…
- PDB
- 4L08
- Type
- protein
- Length
- 1,648 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase, isochorismatase family
- UniProt
- F8G0M0
- Ligands
- MAE
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, C, D, E, F, G, H | Hydrolase, isochorismatase family | protein | 206 | 44% helix, 18% strand | F8G0M0 |
Ligands and binding sites
- MAE · Maleic acid · ligand · 8 copies · chains B, E, A, G, C, F, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 432 | 0.86 | 0.94 | 38 | empty |
| 2 | 475 | 0.65 | 0.77 | 46 | empty |
| 3 | 270 | 0.61 | 0.79 | 43 | empty |
| 4 | 281 | 0.59 | 0.78 | 43 | empty |
| 5 | 67 | 0.35 | 0.77 | 14 | empty |
Interfaces
10 interfaces between chains.
- B–E · 2106 Ų buried · 35 hydrogen bonds · protein-protein
- C–F · 2100 Ų buried · 36 hydrogen bonds · protein-protein
- D–H · 2093 Ų buried · 35 hydrogen bonds · protein-protein
- A–G · 2084 Ų buried · 36 hydrogen bonds · protein-protein
- A–D · 921 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4L08 · Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from… · the same entry in another collection · chain B against B, 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 F8G0M0
- Elsewhere: RCSB PDB 4L08 · PDBe 4L08 · UniProt F8G0M0
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