MolNFT v1 · #188123 · protein
Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor
7TCZ · Assemblin: “Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor”. X-ray diffraction, 1 ligand (GIT), 1 pocket (best druggability 0.44). MolNFT v1 #188123 on GenesisL1: 3D structure, binding…
- PDB
- 7TCZ
- Type
- protein
- Length
- 213 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Assemblin
- EC
- 3.4.21.97
- UniProt
- A0A126N917
- Ligands
- GIT
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Assemblin (EC 3.4.21.97) | protein | 213 | 35% helix, 23% strand | A0A126N917 |
Ligands and binding sites
- GIT · [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.44 | 0.75 | 23 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7TCZ · Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor · 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 A0A126N917
- Elsewhere: RCSB PDB 7TCZ · PDBe 7TCZ · UniProt A0A126N917
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