MolNFT v1 · #186215 · protein
Crystal structure of mutant R43D/L124D/R125A/C273S of L-asparaginase I from yersinia pestis
7R6B: “Crystal structure of mutant R43D/L124D/R125A/C273S of L-asparaginase I from yersinia pestis”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.84). MolNFT v1 #186215 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7R6B
- Type
- protein
- Length
- 603 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-asparaginase I
- EC
- 3.5.1.1
- UniProt
- A0A3N4B0Q2
- Ligands
- CA
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-asparaginase I (EC 3.5.1.1) | protein | 302 | 35% helix, 21% strand | A0A3N4B0Q2 |
| B | L-asparaginase I (EC 3.5.1.1) | protein | 301 | 35% helix, 21% strand | A0A3N4B0Q2 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains B
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.84 | 0.96 | 61 | EDO |
| 2 | 260 | 0.61 | 0.80 | 41 | empty |
| 3 | 160 | 0.46 | 0.76 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1889 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 7R6B · Crystal structure of mutant R43D/L124D/R125A/C273S of L-Asparaginase I from Yersinia… · 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 7R6B · PDBe 7R6B · UniProt A0A3N4B0Q2
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