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Crystal structure of putative polyketide cyclase (NP_977253.1) from bacillus cereus atcc 10987 at 1.91 a resolution

Analyse Crystal structure of putative polyketide cyclase (NP_977253.1) from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3K0Z
Type: protein
Length: 298 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative polyketide cyclase
UniProt: Q73CY4
Pockets: 2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative polyketide cyclase	protein	149	31% helix, 38% strand	Q73CY4

Ligands and binding sites

NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	355	0.69	0.82	46	NHE
2	219	0.53	0.77	24	NHE

Interfaces

1 interface between chains.

A–B · 1162 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

3K0Z · Crystal structure of Putative polyketide cyclase (NP_977253.1) from BACILLUS CEREUS ATCC… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q73CY4
Elsewhere: RCSB PDB 3K0Z · PDBe 3K0Z · UniProt Q73CY4

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