Research workbench
Crystal structure of cleaved corticosteroid-binding globulin in complex with progesterone
Analyse Crystal structure of cleaved corticosteroid-binding globulin in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BB2
- Type
- protein
- Length
- 365 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Corticosteroid-binding globulin
- UniProt
- P08185
- Ligands
- CYS, STR
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Corticosteroid-binding globulin | protein | 332 | 33% helix, 35% strand | P08185 |
| B | Corticosteroid-binding globulin | protein | 33 | 0% helix, 55% strand | P08185 |
Ligands and binding sites
- CYS · Cysteine · ligand · chains A
- STR · Progesterone · ligand · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.49 | 0.79 | 14 | STR |
| 2 | 96 | 0.38 | 0.75 | 17 | empty |
| 3 | 71 | 0.36 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2479 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4BB2 · Crystal structure of cleaved corticosteroid-binding globulin in complex with progesterone · the same entry in another collection · chain A against A, TM-score 1.00
- P08185 · AlphaFold monomer V2.0 prediction for corticosteroid-binding globulin (P08185) · a predicted model of the same protein · chain B against A, TM-score 0.91
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 P08185
- Elsewhere: RCSB PDB 4BB2 · PDBe 4BB2 · UniProt P08185
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