MolNFT v1 · #189698 · protein
Crystal structure of ENOLASE1 from candida albicans complexed with 2'- phosphoglyceric acid sodium
7VRD · Enolase 1: “Crystal structure of ENOLASE1 from candida albicans complexed with 2'- phosphoglyceric acid sodium”. X-ray diffraction, 2 ligands (2PG, MG), 13 pockets (best druggability 0.76). MolNFT v1 #189698 on GenesisL1: 3D…
- PDB
- 7VRD
- Type
- protein
- Length
- 1,752 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enolase 1
- EC
- 4.2.1.11
- UniProt
- P30575
- Ligands
- 2PG, MG
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Enolase 1 (EC 4.2.1.11) | protein | 439 | 46% helix, 18% strand | P30575 |
| B | Enolase 1 (EC 4.2.1.11) | protein | 435 | 46% helix, 18% strand | P30575 |
Ligands and binding sites
- 2PG · 2-phosphoglyceric acid · ligand · 2 copies · chains A, C
- MG · Magnesium ion · metal · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.76 | 0.79 | 108 | empty |
| 2 | 981 | 0.73 | 0.76 | 51 | empty |
| 3 | 904 | 0.72 | 0.77 | 50 | empty |
| 4 | 320 | 0.57 | 0.77 | 52 | empty |
| 5 | 263 | 0.53 | 0.76 | 32 | empty |
Interfaces
3 interfaces between chains.
- C–D · 2127 Ų buried · 43 hydrogen bonds · protein-protein
- A–B · 2117 Ų buried · 42 hydrogen bonds · protein-protein
- A–C · 408 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7VRD · Crystal structure of Enolase1 from Candida albicans complexed with 2'-phosphoglyceric… · the same entry in another collection · chain D against D, TM-score 1.00
- P30575 · AlphaFold monomer V2.0 prediction for enolase 1 (P30575) · a predicted model of the same protein · 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 P30575
- Elsewhere: RCSB PDB 7VRD · PDBe 7VRD · UniProt P30575
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