Structure of PDB 7f7r Chain A Binding Site BS02

Receptor Information
>7f7r Chain A (length=899) Species: 1169312 (Enterococcus faecalis ATCC 10100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVGAIVSIEKAEKNFVITYASGKKAQISILNDHLFRYHLDPTGKFEEYPT
PNDPKHVAKITAKTMADYGTQAFEQTNVTDSGNQFILENNGLKIIFEKES
ALMKVLDKKKNQVILEETAPLSFKNDKATQTLKQSSQENYFGGGTQNGRF
THKGTAIQIVNTNNWVDGGVASPNPFYWSTAGYGVVRNTWKPGNYDFGSH
DPQTTTTTHEGTDFDAFYFFNDSSAGILKDYYELTGKPALMPEYGFYEAH
LNAYNRDYWVKVAEGTAGAVKFEDGNFYKEYQPGDLGNLNGTLESLNGEK
ENYQFSARAVIDRYKKNDMPLGWFLPNDGYGAGYGQTDSLDGDVQNLKEF
TDYAQANGVEVGLWTQSNLHPADPKNPKKGERDIAKEVSVAGVKALKTNV
AWVGYGYSFGLNGVEDAANVFVKETDGAVRPMIVSLDGWAGTQRHAGIWT
GDQTGGQWEYIRFHIPTYIGTSLSGQPNVGSDMDGIFGGKNKEVNIRDFQ
WKTFTPVQLNMDGWGSNPKTPFAFDQEATDLNRAYLKLKSMMMPYNYSIA
KESVDGLPMVRAMALEFPNEGTAYTKDSQYQYMWGPNLLVAPIYNGNQDE
AGNSIRDGIYLPDEKQVWVDLFTGEKYQGGRVLNGVKTPLWKVPVFVKDG
SIIPMTNPNNNPKEIQRDQRSFLIYPNGATSFNMYEDDGISTSYEAGQSA
TTKINSQGPKSNEKGDLTVTIEPTKGSYKDFVDERSTTLDLLASEAPESV
TAMVGGTEVTLKQAANKEEFLAGTNLYYFDKEFQVNQYLSEASGEKLNQS
ALSVKLAKQSVTAKDVQITVKGFINKGTVDGGNTTVDDQLTIINEEKTTL
TLQSYEVERDGTVFGNIQTNTATFDGFSFLSEHTFRVRAVGKNGVSEWS
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 chain7f7r Chain A Residue 1016 [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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PDB7f7r Structural and mechanistic insights into the substrate specificity and hydrolysis of GH31 alpha-N-acetylgalactosaminidase.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		A309 D313 E336 E350
Binding residue
(residue number reindexed from 1)		A253 D257 E280 E294
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7f7r, PDBe:7f7r, PDBj:7f7r
PDBsum7f7r
PubMed34826537
UniProtQ833V2

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