MolNFT v1 · #120581 · protein
Structure of titanium-bound human serum transferrin
5H52 · Serotransferrin: “Structure of titanium-bound human serum transferrin”. X-ray diffraction, 1 ligand (4TI), 6 pockets (best druggability 0.79). MolNFT v1 #120581 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H52
- Type
- protein
- Length
- 650 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serotransferrin
- UniProt
- P02787
- Ligands
- 4TI
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serotransferrin | protein | 650 | 38% helix, 19% strand | P02787 |
Ligands and binding sites
- 4TI · Titanium ion · metal · 2 copies · chains A
- MLI · Malonate ion · additive · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 857 | 0.79 | 0.81 | 80 | MLI |
| 2 | 666 | 0.76 | 0.81 | 65 | empty |
| 3 | 203 | 0.58 | 0.80 | 21 | empty |
| 4 | 110 | 0.37 | 0.74 | 27 | 4TI, CIT |
| 5 | 75 | 0.36 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 17 disulfide (disulfide).
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 P02787
- Elsewhere: RCSB PDB 5H52 · PDBe 5H52 · UniProt P02787
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