MolNFT v1 · #153368 · protein
Crystal structure of aminotransferase crmg from actinoalloteichus sp. WH1-2216-6 in I222 space group
6JCA: “Crystal structure of aminotransferase crmg from actinoalloteichus sp. WH1-2216-6 in I222 space group”. X-ray diffraction, 2 ligands (CL, SO4), 9 pockets (best druggability 0.82). MolNFT v1 #153368 on GenesisL1: 3D structure, binding…
- PDB
- 6JCA
- Type
- protein
- Length
- 1,019 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crmg
- UniProt
- H8Y6N2
- Ligands
- CL, SO4
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crmg | protein | 505 | 45% helix, 19% strand | H8Y6N2 |
| B | Crmg | protein | 514 | 45% helix, 19% strand | H8Y6N2 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 852 | 0.82 | 0.85 | 96 | SO4 |
| 2 | 157 | 0.78 | 0.94 | 34 | empty |
| 3 | 104 | 0.76 | 0.96 | 21 | empty |
| 4 | 81 | 0.56 | 0.87 | 20 | CL |
| 5 | 72 | 0.53 | 0.86 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 4591 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- 6JCA · Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in I222… · 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 H8Y6N2
- Elsewhere: RCSB PDB 6JCA · PDBe 6JCA · UniProt H8Y6N2
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