MolNFT v1 · #124912 · protein
Fdhc with bound products: coenzyme a and dtdp-3-amino-3,6-dideoxy-D- glucose
5KTD: “Fdhc with bound products: coenzyme a and dtdp-3-amino-3,6-dideoxy-D- glucose”. X-ray diffraction, 3 ligands (QUH, COA, MG), 1 pocket (best druggability 0.67). MolNFT v1 #124912 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5KTD
- Type
- protein
- Length
- 187 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fdhc
- UniProt
- V5RDR9
- Ligands
- QUH, COA, MG
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fdhc | protein | 187 | 34% helix, 28% strand | V5RDR9 |
Ligands and binding sites
- QUH · [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S}, 5~{S},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate · ligand · chains A
- COA · Coenzyme A · ligand · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 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 | 419 | 0.67 | 0.79 | 44 | QUH, COA |
Compared structures
- 5KTD · FdhC with bound products: Coenzyme A and dTDP-3-amino-3,6-dideoxy-d-glucose · 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 V5RDR9
- Elsewhere: RCSB PDB 5KTD · PDBe 5KTD · UniProt V5RDR9
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