Structure of PDB 6tr3 Chain A Binding Site BS05

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 606 [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)		N413 D416 N418 T421 S514 E515
Binding residue
(residue number reindexed from 1)		N391 D394 N396 T399 S492 E493
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

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

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