MolNFT v1 · #71390 · protein
Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from chromobacterium violaceum atcc 12472 at 1.06 a resolution
3MCW: “Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from chromobacterium…”. X-ray diffraction, 1 ligand (IOD), 2 pockets (best druggability 0.56). MolNFT v1 #71390 on GenesisL1: 3D structure, binding…
- PDB
- 3MCW
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hydrolase
- UniProt
- Q7NYF4
- Ligands
- IOD
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative hydrolase | protein | 195 | 37% helix, 24% strand | Q7NYF4 |
| B | Putative hydrolase | protein | 193 | 36% helix, 24% strand | Q7NYF4 |
Ligands and binding sites
- IOD · Iodide ion · ion · 10 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.56 | 0.80 | 29 | EDO |
| 2 | 201 | 0.51 | 0.77 | 28 | IOD |
Interfaces
1 interface between chains.
- A–B · 1418 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 3MCW · Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from… · 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 Q7NYF4
- Elsewhere: RCSB PDB 3MCW · PDBe 3MCW · UniProt Q7NYF4
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