MolNFT v1 · #138895 · protein
Crystal structure of microcystis aeruginosa pcc 7806 aspartate racemase in complex with citrate
5WXX · Mcyf: “Crystal structure of microcystis aeruginosa pcc 7806 aspartate racemase in complex with citrate”. X-ray diffraction, 2 pockets (best druggability 0.37). MolNFT v1 #138895 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5WXX
- Type
- protein
- Length
- 227 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mcyf
- UniProt
- Q9RNB4
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mcyf | protein | 227 | 57% helix, 14% strand | Q9RNB4 |
Ligands and binding sites
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.37 | 0.76 | 19 | empty |
| 2 | 90 | 0.35 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 5WXX · Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with… · 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 Q9RNB4
- Elsewhere: RCSB PDB 5WXX · PDBe 5WXX · UniProt Q9RNB4
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