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Crystal structure of putative antibiotic biosynthesis monooxygenase (NP_810307.1) from bacteriodes thetaiotaomicron vpi-5482 at 1.30 a resolution

Analyse Crystal structure of putative antibiotic biosynthesis monooxygenase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3KKF
Type: protein
Length: 105 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative antibiotic biosynthesis monooxygenase
UniProt: Q8A7Y0
Ligands: CA
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative antibiotic biosynthesis monooxygenase	protein	105	43% helix, 32% strand	Q8A7Y0

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
P6G · Hexaethylene glycol · additive · 2 copies · chains A
ACT · Acetate ion · additive · chains A
EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	112	0.65	0.88	22	ACT, P6G

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

3KKF · Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_810307.1) from… · 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 Q8A7Y0
Elsewhere: RCSB PDB 3KKF · PDBe 3KKF · UniProt Q8A7Y0

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