Structure of PDB 1t1e Chain A Binding Site BS01

Receptor Information
>1t1e Chain A (length=534) Species: 198803 (Bacillus sp. MN-32) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKREVLAGHARRQAPQAVDKGPVTGDQRISVTVVLRRQRGDELEAHVERQ
AALAPHARVHLEREAFAASHGASLDDFAEIRKFAEAHGLTLDRAHVAAGT
AVLSGPVDAVNQAFGVELRHFDHPDGSYRSYVGDVRVPASIAPLIEAVLG
LDTRPVARPHFRLRRRAEGEFEARSQSAAPTAYTPLDVAQAYQFPEGLDG
QGQCIAIIELGGGYDETSLAQYFASLGVSAPQVVSVSVDGATNQPTGDPN
GPDGEVELDIEVAGALAPGAKIAVYFAPNTDAGFLNAITTAVHDPTHKPS
IVSISWGGPEDSWAPASIAAMNRAFLDAAALGVTVLAAAGDSGSTDGEQD
GLYHVDFPAASPYVLACGGTRLVASAGRIERETVWNDGPDGGSTGGGVSR
IFPLPSWQERANVPPSANPGAGSGRGVPDVAGNADPATGYEVVIDGETTV
IGGTAAVAPLFAALVARINQKLGKPVGYLNPTLYQLPPEVFHDITEGNND
IANRARIYQAGPGWDPCTGLGSPIGIRLLQALLP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1t1e Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1t1e 1.2 a crystal structure of the serine carboxyl proteinase pro-kumamolisin: structure of an intact pro-subtilase
Resolution1.18 Å
Binding residue
(original residue number in PDB)		D505 I506 G523 G525 D527
Binding residue
(residue number reindexed from 1)		D493 I494 G511 G513 D515
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E267 D271 D353 A467
Catalytic site (residue number reindexed from 1) E255 D259 D341 A455
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0008240 tripeptidyl-peptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1t1e, PDBe:1t1e, PDBj:1t1e
PDBsum1t1e
PubMed15242607
UniProtQ8RR56

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