2025-07-19_00000086
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ligand
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9G3T
Structure of the PRO-PRO endopeptidase (PPEP-3) E153A Y189F from Geobacillus thermodenitrificans;
X-ray diffraction 1.60Å
Protein #1
230 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMAHGVLLEESGLDVQTIPSHDVLGRIVIVPETDFSFDEANETIRTLARIDRRILEQAANHHIYIQLLTNPITDEPIARHLRGKTPRGYVPGSKTWDEVPGIGGAHLVLVRLGHSEKGKGHGSINLELHAFAHSLDYIVFDHIHETDEFQALWREEAPQLFPREYFFLTYPEEYFAESFAYYYVSEKTQETLRMAAPRTYTFIRQLAERAS
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMAHGVLLEESGLDVQTIPSHDVLGRIVIVPETDFSFDEANETIRTLARIDRRILEQAANHHIYIQLLTNPITDEPIARHLRGKTPRGYVPGSKTWDEVPGIGGAHLVLVRLGHSEKGKGHGSINLELHAFAHSLDYIVFDHIHETDEFQALWREEAPQLFPREYFFLTYPEEYFAESFAYYYVSEKTQETLRMAAPRTYTFIRQLAERAS
Non polymer #2
BCN
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
SMILES: C(CO)N(CCO)CC(=O)O
C(CO)N(CCO)CC(=O)O
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #4
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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