MolNFT v1 · #172540 · protein
Crystal structure of vcsiap bound to sialic acid
7A5Q · Dctp family trap transporter solute-binding subunit: “Crystal structure of vcsiap bound to sialic acid”. X-ray diffraction, 2 ligands (SLB, BGC), 3 pockets (best druggability 0.83). MolNFT v1 #172540 on GenesisL1: 3D structure…
- PDB
- 7A5Q
- Type
- protein
- Length
- 598 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dctp family trap transporter solute-binding subunit
- UniProt
- A0A0H5WZA5
- Ligands
- SLB, BGC
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dctp family trap transporter solute-binding subunit | protein | 299 | 53% helix, 20% strand | A0A0H5WZA5 |
Ligands and binding sites
- SLB · N-acetyl-beta-neuraminic acid · sugar · 2 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · chains B
- GOL · Glycerol · additive · 23 copies · chains A, B
- PGE · Triethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1124 | 0.83 | 0.84 | 85 | GOL |
| 2 | 201 | 0.80 | 0.94 | 37 | SLB |
| 3 | 182 | 0.80 | 0.95 | 30 | SLB |
Interfaces
1 interface between chains.
- A–B · 710 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7A5Q · Crystal structure of VcSiaP bound to sialic acid · the same entry in another collection · chain B against B, 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 A0A0H5WZA5
- Elsewhere: RCSB PDB 7A5Q · PDBe 7A5Q · UniProt A0A0H5WZA5
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