Structure of PDB 6ait Chain E Binding Site BS01

Receptor Information
>6ait Chain E (length=410) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGQEMQMGDYYVRQLRGSAPLINDPLLTQYINSLGMRLVSHANSVKTPFH
FFLINNDEINAFAFFGGNVVLHSALFRYSDNESQLASVMAHEISHVTQRH
LARAMEDTWVGALGSILLAMASPSFTQQNEQEADRIGIQVLQRSGFDPQA
MPTFLEKLLDQARYSSRPPEILLTHPLPESRLADARNRANQMRPMVVQSS
EDFYLAKARTLGMYNSGRNQLTSDLLDEWAKGNVRQQRAAQYGRALQAME
ANKYDEARKTLQPLLAAEPGNAWYLDLATDIDLGQNKANEAINRLKNARD
LRTNPVLQLNLANAYLQGGQPQEAANILNRYTFNNKDDSNGWDLLAQAEA
ALNNRDQELAARAEGYALAGRLDQAISLLSSASSQVKLGSLQQARYDARI
DQLRQLQERF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6ait Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ait Structural Basis for the Function of the beta-Barrel Assembly-Enhancing Protease BepA.
Resolution2.598 Å
Binding residue
(original residue number in PDB)		H136 H140 E201 H246
Binding residue
(residue number reindexed from 1)		H91 H95 E130 H175
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.-.-
Gene Ontology
Molecular Function
GO:0003756 protein disulfide isomerase activity
GO:0004222 metalloendopeptidase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0043165 Gram-negative-bacterium-type cell outer membrane assembly
GO:0051603 proteolysis involved in protein catabolic process
GO:0061077 chaperone-mediated protein folding
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ait, PDBe:6ait, PDBj:6ait
PDBsum6ait
PubMed30521812
UniProtP66948|BEPA_ECOLI Beta-barrel assembly-enhancing protease (Gene Name=bepA)

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