Research workbench
Crystal structure of mutant L124D/R125A/C273S of L-asparaginase I from yersinia pestis
Analyse Crystal structure of mutant L124D/R125A/C273S of L-asparaginase I from yersinia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7R6A
- Type
- protein
- Length
- 1,291 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-asparaginase I
- EC
- 3.5.1.1
- UniProt
- A0A3N4B0Q2
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-asparaginase I (EC 3.5.1.1) | protein | 329 | 31% helix, 20% strand | A0A3N4B0Q2 |
| B | L-asparaginase I (EC 3.5.1.1) | protein | 322 | 32% helix, 21% strand | A0A3N4B0Q2 |
| C | L-asparaginase I (EC 3.5.1.1) | protein | 317 | 34% helix, 21% strand | A0A3N4B0Q2 |
| D | L-asparaginase I (EC 3.5.1.1) | protein | 323 | 33% helix, 20% strand | A0A3N4B0Q2 |
Ligands and binding sites
- FMT · Formic acid · additive · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.77 | 0.92 | 42 | empty |
| 2 | 223 | 0.77 | 0.91 | 45 | empty |
| 3 | 202 | 0.49 | 0.76 | 31 | FMT |
| 4 | 229 | 0.49 | 0.75 | 38 | empty |
| 5 | 224 | 0.48 | 0.74 | 36 | FMT |
Interfaces
4 interfaces between chains.
- C–D · 1984 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1982 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 810 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 721 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7R6A · Crystal structure of mutant L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis · 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 A0A3N4B0Q2
- Elsewhere: RCSB PDB 7R6A · PDBe 7R6A · UniProt A0A3N4B0Q2
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