MolNFT v1 · #181986 · protein
Crystal structure of staphylococcus aureus cystathionine gamma lyase, holoenzyme with bound NL3
7MCY · Bifunctional cystathionine gamma-LYASE/HOMOCYSTEINE…: “Crystal structure of staphylococcus aureus cystathionine gamma lyase, holoenzyme with bound NL3”. X-ray diffraction, 3 ligands (PLP, NL3, NA), 2 pockets (best druggability…
- PDB
- 7MCY
- Type
- protein
- Length
- 380 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional cystathionine gamma-LYASE/HOMOCYSTEINE desulfhydrase
- EC
- 4.4.1.1, 4.4.1.8, 2.5.1.48
- UniProt
- X5E0F1
- Ligands
- PLP, NL3, NA
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Bifunctional cystathionine gamma-LYASE/HOMOCYSTEINE desulfhydrase (EC 4.4.1.1, 4.4.1.8, 2.5.1.48) | protein | 380 | 40% helix, 17% strand | X5E0F1 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · chains H
- NL3 · 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid · ligand · chains H
- NA · Sodium ion · metal · 3 copies · chains H
- GOL · Glycerol · additive · 4 copies · chains H
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.53 | 0.77 | 27 | EPE, NL3 |
| 2 | 122 | 0.41 | 0.75 | 19 | empty |
Modifications
Observed in the structure: 1 cofactor, 1 modified (pyridoxal phosphate Schiff base, cofactor).
Compared structures
- 7MCY · Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with… · the same entry in another collection · chain H against H, 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 X5E0F1
- Elsewhere: RCSB PDB 7MCY · PDBe 7MCY · UniProt X5E0F1
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