Research workbench
Crystal structure of biou (K124A) from synechocystis SP.PCC6803 in complex with NAD+ and the analog of reaction intermediate, 3-(1- aminoethyl)-nonanedioic acid
Analyse Crystal structure of biou (K124A) from synechocystis SP.PCC6803 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6K37
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SLR0355 protein
- UniProt
- Q55650
- Ligands
- NAD, CWL
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SLR0355 protein | protein | 327 | 40% helix, 24% strand | Q55650 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- CWL · (3R)-3-[(1R)-1-azanylethyl]nonanedioic acid · ligand · chains A
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 | 566 | 0.78 | 0.84 | 74 | NAD, CWL |
| 2 | 80 | 0.35 | 0.75 | 22 | empty |
Compared structures
- 6K37 · Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with NAD+ and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q55650 · AlphaFold monomer V2.0 prediction for (S)-8-amino-7-oxononanoate synthase biou (Q55650) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q55650
- Elsewhere: RCSB PDB 6K37 · PDBe 6K37 · UniProt Q55650
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