MolNFT v1 · #22745 · protein
Crystal structure of the ga module complexed with human serum albumin
1TF0: “Crystal structure of the ga module complexed with human serum albumin”. X-ray diffraction, 1 ligand (DKA), 7 pockets (best druggability 0.87). MolNFT v1 #22745 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TF0
- Type
- protein
- Length
- 609 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum albumin; Peptostreptococcal albumin-binding protein
- UniProt
- P02768, Q51911
- Ligands
- DKA
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum albumin | protein | 556 | 71% helix, 0% strand | P02768 |
| B | Peptostreptococcal albumin-binding protein | protein | 53 | 79% helix, 0% strand | Q51911 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1035 | 0.87 | 0.88 | 115 | DKA, CIT |
| 2 | 51 | 0.70 | 0.97 | 21 | empty |
| 3 | 144 | 0.60 | 0.84 | 20 | empty |
| 4 | 131 | 0.43 | 0.76 | 21 | empty |
| 5 | 107 | 0.40 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 944 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 disulfide (disulfide).
Compared structures
- 1TF0 · Crystal structure of the GA module complexed with human serum albumin · the same entry in another collection · chain A against A, TM-score 1.00
- P02768 · AlphaFold monomer V2.0 prediction for albumin (P02768) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q51911 · AlphaFold monomer V2.0 prediction for peptostreptococcal albumin- binding protein (Q51911) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P02768
- Every structure of UniProt Q51911
- Elsewhere: RCSB PDB 1TF0 · PDBe 1TF0 · UniProt P02768 · UniProt Q51911
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