MolNFT v1 · #116370 · protein
Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae in complex with reaction intermediate alpha-aminoacrylate
5DBH · Cysteine synthase: “Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae in complex with reaction…”. X-ray diffraction, 1 ligand (0JO), 2 pockets (best druggability 0.70). MolNFT v1 #116370 on GenesisL1: 3D…
- PDB
- 5DBH
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine synthase
- EC
- 2.5.1.47
- UniProt
- P45040
- Ligands
- 0JO
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Cysteine synthase (EC 2.5.1.47) | protein | 312 | 43% helix, 18% strand | P45040 |
Ligands and binding sites
- 0JO · 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid · ligand · chains X
- GOL · Glycerol · additive · chains X
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 | 264 | 0.70 | 0.85 | 52 | 0JO |
| 2 | 50 | 0.36 | 0.79 | 14 | empty |
Compared structures
- 5DBH · Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae in complex… · the same entry in another collection · chain X against X, TM-score 1.00
- P45040 · AlphaFold monomer V2.0 prediction for cysteine synthase (P45040) · a predicted model of the same protein · chain X against A, TM-score 0.97
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 P45040
- Elsewhere: RCSB PDB 5DBH · PDBe 5DBH · UniProt P45040
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