Research workbench
Crystal structure of dca-S bound to co-LSD4 from sphingobium sp. strain syk-6
Analyse Crystal structure of dca-S bound to co-LSD4 from sphingobium sp. strain syk-6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XM7
- Type
- protein
- Length
- 488 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dioxygenase
- EC
- 1.13.11.-
- UniProt
- G2IQT9
- Ligands
- V5M, CO, MG
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dioxygenase (EC 1.13.11.-) | protein | 488 | 9% helix, 39% strand | G2IQT9 |
Ligands and binding sites
- V5M · (2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl) ethenyl]-5-methoxyphenyl}prop-2-enoic acid · ligand · chains A
- CO · Cobalt (II) ion · metal · 5 copies · chains A
- MG · Magnesium ion · metal · chains A
- DMS · Dimethyl sulfoxide · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.82 | 0.97 | 35 | V5M |
| 2 | 418 | 0.74 | 0.84 | 46 | CO |
| 3 | 113 | 0.47 | 0.79 | 24 | DMS |
| 4 | 51 | 0.30 | 0.76 | 13 | empty |
Compared structures
- 6XM7 · Crystal structure of DCA-S bound to Co-LSD4 from Sphingobium sp. strain SYK-6 · 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 G2IQT9
- Elsewhere: RCSB PDB 6XM7 · PDBe 6XM7 · UniProt G2IQT9
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