MolNFT v1 · #22746 · protein
Crystal structure of the E. COLI glyoxylate regulatory protein ligand binding domain
1TF1 · Negative regulator of allantoin and glyoxylate utilization…: “Crystal structure of the E. COLI glyoxylate regulatory protein ligand binding domain”. X-ray diffraction, 7 pockets (best druggability 0.75). MolNFT v1 #22746 on…
- PDB
- 1TF1
- Type
- protein
- Length
- 724 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Negative regulator of allantoin and glyoxylate utilization operons
- UniProt
- P0ACN4
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Negative regulator of allantoin and glyoxylate utilization operons | protein | 184 | 41% helix, 24% strand | P0ACN4 |
| B | Negative regulator of allantoin and glyoxylate utilization operons | protein | 178 | 44% helix, 25% strand | P0ACN4 |
| C | Negative regulator of allantoin and glyoxylate utilization operons | protein | 179 | 44% helix, 23% strand | P0ACN4 |
| D | Negative regulator of allantoin and glyoxylate utilization operons | protein | 183 | 41% helix, 22% strand | P0ACN4 |
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 | 839 | 0.75 | 0.79 | 115 | empty |
| 2 | 218 | 0.60 | 0.81 | 32 | empty |
| 3 | 100 | 0.57 | 0.86 | 25 | empty |
| 4 | 171 | 0.49 | 0.77 | 30 | empty |
| 5 | 111 | 0.43 | 0.77 | 19 | empty |
Interfaces
4 interfaces between chains.
- C–D · 780 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 661 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 425 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 423 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1TF1 · Crystal Structure of the E. coli Glyoxylate Regulatory Protein Ligand Binding Domain · the same entry in another collection · chain D against D, TM-score 1.00
- P0ACN4 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor allr (P0ACN4) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P0ACN4
- Elsewhere: RCSB PDB 1TF1 · PDBe 1TF1 · UniProt P0ACN4
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