MolNFT v1 · #188649 · protein
Structure of tcda gtd in complex with rhoa
7U2P · Glucosyltransferase tcda: “Structure of tcda gtd in complex with rhoa”. X-ray diffraction, 5 ligands (UPG, GDP, MN), 6 pockets (best druggability 0.84). MolNFT v1 #188649 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7U2P
- Type
- protein
- Length
- 721 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosyltransferase tcda; Transforming protein rhoa
- EC
- 2.4.1.-, 3.6.5.2
- UniProt
- P16154, Q9QUI0
- Ligands
- UPG, GDP, MN, MG, SO4
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosyltransferase tcda (EC 2.4.1.-) | protein | 542 | 56% helix, 8% strand | P16154 |
| B | Transforming protein rhoa (EC 3.6.5.2) | protein | 179 | 39% helix, 24% strand | Q9QUI0 |
Ligands and binding sites
- UPG · Uridine-5'-diphosphate-glucose · ligand · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- MN · Manganese (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains B
- SO4 · Sulfate ion · ion · chains A, B
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 | 1126 | 0.84 | 0.85 | 127 | UPG, MN, GDP, MG |
| 2 | 254 | 0.59 | 0.79 | 34 | empty |
| 3 | 130 | 0.52 | 0.80 | 20 | empty |
| 4 | 157 | 0.48 | 0.77 | 32 | empty |
| 5 | 115 | 0.46 | 0.78 | 16 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1575 Ų buried · 9 hydrogen bonds · protein-protein
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 P16154
- Every structure of UniProt Q9QUI0
- Elsewhere: RCSB PDB 7U2P · PDBe 7U2P · UniProt P16154 · UniProt Q9QUI0
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