Structure of PDB 6tr3 Chain A Binding Site BS06

Receptor Information
>6tr3 Chain A (length=505) Species: 935582 (Mediterraneibacter gnavus E1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWIGDENLTGNAEAPAKDDVVPDKNQFRYQKEELAAFCHFGPNTFNEIEW
GEHYGNQKPSEIFTLKNDFDAETLVKTLKDAGFKKLIVTAKHHDGFCIWD
SEHTEYDVKASGYKNKNGESDILAEISKACTDQNMDMGLYLSPWDIHEPS
YGYKDEHGNPTTPDKDAKDYNEFYNNQLEEILGNPKYGNDGHFVEVWMDG
AKGSGANAQEYDFKKWFKTIQDNEGKAAGYDADCMLFGAEAYTTVRWIGN
ELGIAGKDTWSKSKVDKDKNTINSNKQGNATVGFEDGDQWTVPEADARIT
SGWFWGTKKNTPKTMEELSDMYFNSVGHNATLLLNVPPNNQGTVDKAILD
RVTEFGNNIKATFKTNLAKAEGASVKVSEVRGGAKEYKPGNMIDDNDETY
WATSDGKKSGEILIDLGKETKFDVVSIEEAIQNGQRINNYKVEYRNGDSG
TWTLLEEGKTIGAKRLCRTSETTARQIKITVGTCDGKVPMISEIGVYKST
EDMEK
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 chain6tr3 Chain A Residue 607 [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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PDB6tr3 Fucosidases from the human gut symbiont Ruminococcus gnavus.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S172 G174 D188 K190
Binding residue
(residue number reindexed from 1)		S150 G152 D166 K168
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.187: (Ara-f)3-Hyp beta-L-arabinobiosidase.
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6tr3, PDBe:6tr3, PDBj:6tr3
PDBsum6tr3
PubMed32333083
UniProtA0A6N3BKT0

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