MolNFT v1 · #122135 · protein
Crystal structure of macrocyclase mdnb from microcystis aeruginosa mrc
5IG8 · ATP grasp ligase: “Crystal structure of macrocyclase mdnb from microcystis aeruginosa mrc”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #122135 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IG8
- Type
- protein
- Length
- 550 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP grasp ligase
- UniProt
- B2G3C9
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP grasp ligase | protein | 307 | 33% helix, 30% strand | B2G3C9 |
| B | ATP grasp ligase | protein | 243 | 37% helix, 30% strand | B2G3C9 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 314 | 0.71 | 0.84 | 44 | empty |
| 2 | 289 | 0.58 | 0.77 | 31 | empty |
| 3 | 171 | 0.56 | 0.81 | 22 | empty |
| 4 | 128 | 0.41 | 0.75 | 23 | empty |
| 5 | 51 | 0.29 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 517 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5IG8 · Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC · 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 B2G3C9
- Elsewhere: RCSB PDB 5IG8 · PDBe 5IG8 · UniProt B2G3C9
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