Research workbench
Crystal structure of the maleamate amidase AMI(C149A) in complex with maleate from pseudomonas putida S16
Analyse Crystal structure of the maleamate amidase AMI(C149A) in complex with maleate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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