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The crystal structure of mandelate RACEMASE/MUCONATE lactonizing enzyme from sulfitobacter sp
Analyse The crystal structure of mandelate RACEMASE/MUCONATE lactonizing enzyme from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3T4W
- Type
- protein
- Length
- 1,584 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein
- UniProt
- A3SSE3
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 396 | 40% helix, 16% strand | A3SSE3 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 817 | 0.82 | 0.85 | 97 | empty |
| 2 | 814 | 0.82 | 0.85 | 95 | empty |
| 3 | 145 | 0.66 | 0.87 | 26 | empty |
| 4 | 129 | 0.64 | 0.87 | 22 | empty |
| 5 | 340 | 0.63 | 0.79 | 42 | empty |
Interfaces
5 interfaces between chains.
- A–C · 2131 Ų buried · 43 hydrogen bonds · protein-protein
- B–D · 2115 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 1325 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 860 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 845 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3T4W · The crystal structure of mandelate racemase/muconate lactonizing enzyme from… · 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 A3SSE3
- Elsewhere: RCSB PDB 3T4W · PDBe 3T4W · UniProt A3SSE3
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