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Crystal structure of biou (K124A) from synechocystis SP.PCC6803 in complex with 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: 6ITD
Type: protein
Length: 328 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SLR0355 protein
UniProt: Q55650
Ligands: IKT
Pockets: 2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SLR0355 protein	protein	328	39% helix, 24% strand	Q55650

Ligands and binding sites

IKT · 3-(1-aminoethyl)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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	662	0.80	0.85	81	IKT
2	57	0.30	0.75	16	empty

Compared structures

6ITD · Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with the… · 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 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 Q55650
Elsewhere: RCSB PDB 6ITD · PDBe 6ITD · UniProt Q55650

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