MolNFT v1 · #82728 · protein
Crystal structure of mate in complex with MAD5
3VVR · Putative uncharacterized protein: “Crystal structure of mate in complex with MAD5”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.83). MolNFT v1 #82728 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3VVR
- Type
- protein
- Length
- 451 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein; Macrocyclic peptide
- UniProt
- Q8U2X0
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 440 | 84% helix, 0% strand | Q8U2X0 |
| B | Macrocyclic peptide | protein | 11 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 560 | 0.83 | 0.88 | 67 | empty |
Interfaces
1 interface between chains.
- A–B · 861 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 1 d-amino (covalent ligand, D-amino acid).
Compared structures
- 3VVR · Crystal structure of MATE in complex with MaD5 · 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 Q8U2X0
- Elsewhere: RCSB PDB 3VVR · PDBe 3VVR · UniProt Q8U2X0
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