MolNFT v1 · #63056 · protein
Crystal structure of the maoc-like dehydratase from rhodospirillum rubrum. northeast structural genomics consortium target RRR103A.
3EXZ: “Crystal structure of the maoc-like dehydratase from rhodospirillum rubrum. northeast structural genomics…”. X-ray diffraction, 8 pockets (best druggability 0.73). MolNFT v1 #63056 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3EXZ
- Type
- protein
- Length
- 728 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maoc-like dehydratase
- UniProt
- Q2RSA1
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, E | Maoc-like dehydratase | protein | 146 | 27% helix, 34% strand | Q2RSA1 |
| B | Maoc-like dehydratase | protein | 147 | 27% helix, 34% strand | Q2RSA1 |
| C | Maoc-like dehydratase | protein | 143 | 25% helix, 37% strand | Q2RSA1 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.73 | 0.80 | 77 | empty |
| 2 | 169 | 0.73 | 0.90 | 38 | empty |
| 3 | 174 | 0.72 | 0.89 | 38 | empty |
| 4 | 541 | 0.70 | 0.79 | 76 | empty |
| 5 | 188 | 0.49 | 0.76 | 31 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1415 Ų buried · 17 hydrogen bonds · protein-protein
- C–E · 1305 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 479 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 438 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 144 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 3EXZ · Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum. Northeast… · 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 Q2RSA1
- Elsewhere: RCSB PDB 3EXZ · PDBe 3EXZ · UniProt Q2RSA1
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