MolNFT v1 · #37476 · protein
Crystal structure of E.COLI transthyretin-related protein with bound zn and br
2G2P · Transthyretin-like protein: “Crystal structure of E.COLI transthyretin-related protein with bound zn and br”. X-ray diffraction, 3 ligands (ZN, SO4, BR), 3 pockets (best druggability 0.57). MolNFT v1 #37476 on GenesisL1: 3D…
- PDB
- 2G2P
- Type
- protein
- Length
- 446 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin-like protein
- UniProt
- P76341
- Ligands
- ZN, SO4, BR
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transthyretin-like protein | protein | 111 | 5% helix, 48% strand | P76341 |
| C, D | Transthyretin-like protein | protein | 112 | 5% helix, 49% strand | P76341 |
Ligands and binding sites
- ZN · Zinc ion · metal · 15 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D
- BR · Bromide ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.57 | 0.79 | 34 | BR, SO4 |
| 2 | 229 | 0.56 | 0.78 | 28 | SO4, ZN, BR |
| 3 | 71 | 0.32 | 0.75 | 18 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1068 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1027 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 488 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 433 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 376 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2G2P · Crystal Structure of E.coli transthyretin-related protein with bound Zn and Br · the same entry in another collection · chain A against A, TM-score 1.00
- P76341 · AlphaFold monomer V2.0 prediction for 5-hydroxyisourate hydrolase (P76341) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P76341
- Elsewhere: RCSB PDB 2G2P · PDBe 2G2P · UniProt P76341
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