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Crystal structure of E.COLI menh Y85F mutant
Analyse Crystal structure of E.COLI menh Y85F mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GEG
- Type
- protein
- Length
- 772 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase
- EC
- 4.2.99.20
- UniProt
- P37355
- Ligands
- SO4, CL
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (EC 4.2.99.20) | protein | 258 | 44% helix, 15% strand | P37355 |
| B | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (EC 4.2.99.20) | protein | 256 | 44% helix, 15% strand | P37355 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C
- CL · Chloride ion · ion · 7 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains B, C
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.74 | 0.90 | 38 | SO4, CL, GOL |
| 2 | 223 | 0.73 | 0.88 | 34 | SO4, CL |
| 3 | 292 | 0.73 | 0.86 | 45 | SO4, CL, EDO |
| 4 | 85 | 0.53 | 0.85 | 26 | empty |
| 5 | 198 | 0.50 | 0.76 | 33 | empty |
Interfaces
2 interfaces between chains.
- A–C · 613 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 503 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4GEG · Crystal Structure of E.coli MenH Y85F Mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P37355 · AlphaFold monomer V2.0 prediction for 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylat… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P37355
- Elsewhere: RCSB PDB 4GEG · PDBe 4GEG · UniProt P37355
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