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Crystal structure of E.COLI menh
Analyse Crystal structure of E.COLI menh in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GDM
- Type
- protein
- Length
- 770 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
- 8 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (EC 4.2.99.20) | protein | 253 | 45% helix, 15% strand | P37355 |
| B | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (EC 4.2.99.20) | protein | 258 | 47% helix, 15% strand | P37355 |
| C | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (EC 4.2.99.20) | protein | 259 | 45% helix, 15% strand | P37355 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C
- CL · Chloride ion · ion · 3 copies · chains A, B, C
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.74 | 0.89 | 31 | SO4, CL |
| 2 | 591 | 0.72 | 0.80 | 49 | SO4 |
| 3 | 342 | 0.72 | 0.84 | 54 | SO4, CL |
| 4 | 237 | 0.72 | 0.87 | 32 | SO4, CL |
| 5 | 127 | 0.43 | 0.76 | 27 | CL |
Interfaces
3 interfaces between chains.
- A–C · 926 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 545 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 299 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 4GDM · PDBe 4GDM · UniProt P37355
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