Research workbench
Crystal structure of hitb in complex with (S)-beta-phenylalanine sulfamoyladenosine
Analyse Crystal structure of hitb in complex with (S)-beta-phenylalanine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DQ5
- Type
- protein
- Length
- 931 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ATP-dependent B-aminoacyl-acp synthetase
- UniProt
- A0A0F7R6G7
- Ligands
- 8PZ, CA
- Pockets
- 12 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ATP-dependent B-aminoacyl-acp synthetase | protein | 490 | 32% helix, 25% strand | A0A0F7R6G7 |
| B | Putative ATP-dependent B-aminoacyl-acp synthetase | protein | 441 | 29% helix, 26% strand | A0A0F7R6G7 |
Ligands and binding sites
- 8PZ · [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-phenyl-propanoyl]sulfamate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 491 | 0.77 | 0.85 | 52 | empty |
| 2 | 773 | 0.77 | 0.81 | 82 | 8PZ |
| 3 | 876 | 0.75 | 0.79 | 87 | 8PZ |
| 4 | 252 | 0.63 | 0.81 | 37 | empty |
| 5 | 336 | 0.61 | 0.78 | 57 | empty |
Interfaces
1 interface between chains.
- A–B · 1955 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 7DQ5 · Crystal structure of HitB in complex with (S)-beta-phenylalanine sulfamoyladenosine · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A0F7R6G7
- Elsewhere: RCSB PDB 7DQ5 · PDBe 7DQ5 · UniProt A0A0F7R6G7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.