MolNFT v1 · #165425 · protein
Serratia spp. cyanase hydratase
6TV0 · Cyanate hydratase: “Serratia spp. cyanase hydratase”. X-ray diffraction, 1 ligand (OXD), 20 pockets (best druggability 0.82). MolNFT v1 #165425 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TV0
- Type
- protein
- Length
- 1,550 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyanate hydratase
- EC
- 4.2.1.104
- UniProt
- A0A4Q8D4S5
- Ligands
- OXD
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Cyanate hydratase (EC 4.2.1.104) | protein | 155 | 45% helix, 20% strand | A0A4Q8D4S5 |
Ligands and binding sites
- OXD · Oxalic acid · ligand · 5 copies · chains A, F, G, J, C, I, B, D, E, H
- GOL · Glycerol · additive · 50 copies · chains A, J, G, C, I, F, B, E, H, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 910 | 0.82 | 0.84 | 148 | empty |
| 2 | 905 | 0.81 | 0.83 | 131 | empty |
| 3 | 258 | 0.63 | 0.81 | 51 | GOL |
| 4 | 226 | 0.63 | 0.82 | 50 | GOL |
| 5 | 248 | 0.61 | 0.80 | 46 | GOL |
Interfaces
25 interfaces between chains.
- C–I · 3397 Ų buried · 59 hydrogen bonds · protein-protein
- A–G · 3396 Ų buried · 61 hydrogen bonds · protein-protein
- B–H · 3392 Ų buried · 60 hydrogen bonds · protein-protein
- D–E · 3371 Ų buried · 61 hydrogen bonds · protein-protein
- F–J · 3370 Ų buried · 62 hydrogen bonds · protein-protein
Compared structures
- 6TV0 · Serratia spp. cyanase hydratase · 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 A0A4Q8D4S5
- Elsewhere: RCSB PDB 6TV0 · PDBe 6TV0 · UniProt A0A4Q8D4S5
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