MolNFT v1 · #159184 · protein
X-ray crystal structure of the mouse cmp-sialic acid transporter in complex with cmp, by hanging drop vapor diffusion
6OH4: “X-ray crystal structure of the mouse cmp-sialic acid transporter in complex with cmp, by hanging drop vapor…”. X-ray diffraction, 1 ligand (C5P), 5 pockets (best druggability 0.83). MolNFT v1 #159184 on GenesisL1: 3D structure…
- PDB
- 6OH4
- Type
- protein
- Length
- 598 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cmp-sialic acid transporter
- UniProt
- Q61420
- Ligands
- C5P
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cmp-sialic acid transporter | protein | 299 | 80% helix, 0% strand | Q61420 |
Ligands and binding sites
- C5P · Cytidine-5'-monophosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 778 | 0.83 | 0.86 | 81 | C5P |
| 2 | 699 | 0.83 | 0.86 | 75 | C5P |
| 3 | 943 | 0.74 | 0.77 | 63 | empty |
| 4 | 90 | 0.34 | 0.74 | 23 | empty |
| 5 | 51 | 0.26 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 776 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6OH4 · X-ray crystal structure of the mouse CMP-sialic acid transporter in complex with CMP, by… · the same entry in another collection · chain A against A, TM-score 1.00
- Q61420 · AlphaFold monomer V2.0 prediction for cmp-sialic acid transporter (Q61420) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q61420
- Elsewhere: RCSB PDB 6OH4 · PDBe 6OH4 · UniProt Q61420
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