MolNFT v1 · #167829 · protein
X-ray structure of clavaminate synthase with vanadyl, succinate, and deoxyguanidinoproclavaminic acid
6VWR · Clavaminate synthase 3: “X-ray structure of clavaminate synthase with vanadyl, succinate, and deoxyguanidinoproclavaminic acid”. X-ray diffraction, 2 ligands (PCX, VVO), 1 pocket (best druggability 0.73). MolNFT v1 #167829 on…
- PDB
- 6VWR
- Type
- protein
- Length
- 323 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Clavaminate synthase 3
- EC
- 1.14.11.21
- UniProt
- I0CBY7
- Ligands
- PCX, VVO
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Clavaminate synthase 3 (EC 1.14.11.21) | protein | 323 | 30% helix, 22% strand | I0CBY7 |
Ligands and binding sites
- PCX · Deoxyguanidinoproclavaminic acid · ligand · chains A
- VVO · oxovanadium(2+) · ligand · chains A
- SIN · Succinic acid · 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 | 231 | 0.73 | 0.88 | 37 | SIN, PCX, VVO |
Compared structures
- 6VWR · X-ray structure of clavaminate synthase with vanadyl, succinate, and… · 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 I0CBY7
- Elsewhere: RCSB PDB 6VWR · PDBe 6VWR · UniProt I0CBY7
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