MolNFT v1 · #99406 · protein
Crystal structure of plp-dependent cyclase orfr in complex with au
4M2J · Aminotransferase: “Crystal structure of plp-dependent cyclase orfr in complex with au”. X-ray diffraction, 2 ligands (PLP, AU), 3 pockets (best druggability 0.59). MolNFT v1 #99406 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4M2J
- Type
- protein
- Length
- 382 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase
- UniProt
- G9MBV4
- Ligands
- PLP, AU
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminotransferase | protein | 382 | 43% helix, 15% strand | G9MBV4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.59 | 0.80 | 35 | PLP |
| 2 | 189 | 0.52 | 0.78 | 29 | empty |
| 3 | 105 | 0.37 | 0.74 | 21 | empty |
Compared structures
- 4M2J · Crystal structure of PLP-dependent cyclase OrfR in complex with Au · 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 G9MBV4
- Elsewhere: RCSB PDB 4M2J · PDBe 4M2J · UniProt G9MBV4
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