Structure of PDB 7p39 Chain A Binding Site BS02

Receptor Information
>7p39 Chain A (length=832) Species: 1598 (Limosilactobacillus reuteri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEAGPWENMAYSMDSNSINNIDGYISYTGWYRPYGTSQDGKTWYPTTVAD
WRPILMYVWPSKDVQAKFIQYFVNHGYENSNYGLTTGSVKDLSENTASIK
LNEVAQNLRYVIEQHIVAAKSTSQLANDINNFITTIPELSASSELPYGQV
IFVNNDNTSYADSKYRLMSRTINNQTGNDNDNSDNGYEFLTGIDIDNSNP
VVQAENLNWEYFLLNYGKLMGYNPDGNFDGFRIDAADHIDADVLDQTGQL
MDDMYHMKGNPQNANNHLSYNEGYRSSAARMLNKKGNPQLYMDYVGSTLG
NVLGRANNRDTISNLVTGSIVNRQNDVTENEATPNWSYVTNHDSRANLIN
GLISKDHPGAYKAEYANQAWQEFYADQKKTDKQYAQYNVPAQYAILLSNK
DTVPQIYYGDLYNETAQYMQEKSIYYDAITTLMKARKQFVSGGQTMTKLS
DNLIASVRYGKGVTNANSEGTDSLSRTSGMAVIVGNNPQMAEQTISINMG
RAHANEQYRNLLDTTDNGLTYNADGAENPETLTTDDNGILKVTVKGYSNP
YVSGYLGVWVPVVSGNQDVTTNAATVSADSNKIFESNAALDSHMIYQDFS
LYQPEPTSTENHAYNTIAQNAELFNNLGITDFWMAPPYTQYSESRYNDGY
SVTDRYNLGTNANPTKYGSGEELANAIAALHSAGLKVQVDIVMNQMIGLP
GQEAVTVTRADNRGIQTYVNGKTYANQMYFAYTTGGGNGQETYGGKYLSE
LQSKYPDLFTTRAISTGVAPDPTTRITKWSAKYENGTSLQNIGIGLAVKL
PNGEYAYLRSSDNKAFNTTLPETMSSADYYAN
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 chain7p39 Chain A Residue 1301 [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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PDB7p39 Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E633 D639 H683 I684 N1139
Binding residue
(residue number reindexed from 1)		E188 D194 H238 I239 N694
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.5: dextransucrase.
Gene Ontology
Molecular Function
GO:0046527 glucosyltransferase activity
Biological Process
GO:0009250 glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7p39, PDBe:7p39, PDBj:7p39
PDBsum7p39
PubMed34708648
UniProtA0A1Z2RUH3

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