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Crystal structure of putative snoal-like polyketide cyclase (YP_563807.1) from shewanella denitrificans os-217 at 1.70 a resolution

Analyse Crystal structure of putative snoal-like polyketide cyclase (YP_563807.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LZA
Type
protein
Length
547 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative snoal-like polyketide cyclase
UniProt
Q12KE2
Pockets
7 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, DPutative snoal-like polyketide cyclaseprotein13731% helix, 44% strandQ12KE2
CPutative snoal-like polyketide cyclaseprotein13631% helix, 44% strandQ12KE2

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12490.710.8525empty
22250.710.8623empty
32680.700.8528empty
42620.690.8423empty
5690.520.8616empty

Interfaces

3 interfaces between chains.

  • A–B · 784 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 783 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 146 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

  • 3LZA · Crystal structure of Putative SnoaL-like polyketide cyclase (YP_563807.1) from SHEWANELLA… · the same entry in another collection · chain A against A, TM-score 1.00

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