MolNFT v1 · #141852 · protein
Crystal structure of dfa-iiiase mutant C387A from arthrobacter chlorophenolicus A6
5ZL5 · Dfa-iiiase C387A mutant: “Crystal structure of dfa-iiiase mutant C387A from arthrobacter chlorophenolicus A6”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #141852 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ZL5
- Type
- protein
- Length
- 2,622 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dfa-iiiase C387A mutant
- EC
- 3.2.1.-
- UniProt
- B8HDZ1
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 6 distinct chains · 12% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dfa-iiiase C387A mutant (EC 3.2.1.-) | protein | 438 | 12% helix, 40% strand | B8HDZ1 |
| B | Dfa-iiiase C387A mutant (EC 3.2.1.-) | protein | 438 | 12% helix, 40% strand | B8HDZ1 |
| C | Dfa-iiiase C387A mutant (EC 3.2.1.-) | protein | 437 | 12% helix, 40% strand | B8HDZ1 |
| D | Dfa-iiiase C387A mutant (EC 3.2.1.-) | protein | 438 | 12% helix, 40% strand | B8HDZ1 |
| E | Dfa-iiiase C387A mutant (EC 3.2.1.-) | protein | 436 | 12% helix, 40% strand | B8HDZ1 |
| F | Dfa-iiiase C387A mutant (EC 3.2.1.-) | protein | 435 | 12% helix, 40% strand | B8HDZ1 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 copies · chains A, D, C, F, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 775 | 0.86 | 0.89 | 77 | GOL |
| 2 | 222 | 0.84 | 0.97 | 32 | empty |
| 3 | 503 | 0.82 | 0.89 | 55 | empty |
| 4 | 158 | 0.81 | 0.97 | 29 | empty |
| 5 | 158 | 0.81 | 0.97 | 32 | empty |
Interfaces
9 interfaces between chains.
- B–D · 2971 Ų buried · 55 hydrogen bonds · protein-protein
- A–D · 2924 Ų buried · 50 hydrogen bonds · protein-protein
- C–E · 2907 Ų buried · 55 hydrogen bonds · protein-protein
- C–F · 2906 Ų buried · 54 hydrogen bonds · protein-protein
- A–B · 2890 Ų buried · 51 hydrogen bonds · protein-protein
Compared structures
- 5ZL5 · Crystal structure of DFA-IIIase mutant C387A from Arthrobacter chlorophenolicus A6 · the same entry in another collection · chain D against D, 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 B8HDZ1
- Elsewhere: RCSB PDB 5ZL5 · PDBe 5ZL5 · UniProt B8HDZ1
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