Structure of PDB 7q20 Chain A Binding Site BS04

Receptor Information
>7q20 Chain A (length=845) Species: 411470 (Mediterraneibacter gnavus ATCC 29149) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APPLVNLAEEKDVKVTVGENMDLKNADLLTDGDKYYLQHDATGNKEGNNW
ENYQEQGTEVTSTAEGKNGVWVQVDLGASYPLEVINLKRQVYDGQATIGN
GNPSGQGKRLKGTKISYKNTAIVIGNEEDLSDGQIVYYEGNPTLPDGVKQ
PENVSKPYEEAMGGQWFYMDYANKNGLGATELGTTKEARYIRVYTENPKG
AAVKFMELGIYGYENEQDVQSQDGPRRVIDNEHPMMIATAYSNDVYEIGQ
EEGPELQGSNTVDGRWNAIPDDLKENNVLLLHTNNLRQFAPDHIGQAYLQ
AFHEHGLQIAYEQGAPIMLLGLTAAATPENGGTQYNITADMDYGWLDLMY
RMYPNMQGVFNTENFWAGIHPPCEGSAKMLEIADRFGGFFVWSDQDHGST
VTNIVSNANMKKALEKHGDAFYLIYKNTSSNQPDDLKTSSFFQGSWLAGY
TGGWGMLSDTWAWDKQFSKLWQGAGSYNNWQRLCGEPEALLGMQMMSTYL
GGGVIYTFEFPEIVYGTSNTNSPANTHVLTELFRYIVNHPAPSKKEIMEE
TKAVLYGNVSSDFYSGLSGKPTGFQIYETGRYGIIPVIPTWGTRAEVTKK
LIQEADKLGVTPPNVLDVKDKNLSGQAKQKYFKDLYPIEYVGNAFADKWE
GTWYLYNNKVNTNEKQHAILPLEGEEESARLKVEMEPHEFMIMNESGDGT
AMDITLNNYRVNKDEIIFDNKFGLTWTGDFSPGQTTINGKLSVYKYMDEY
NVVNAPEGKLSPEDNELRTTTFELTKLAKEPKVQVVKGQQPDTDGQPQYT
EPKVEFNEETGKAVITIQTNGWVDLSITGLEFVYDENAQKIEDEP
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 chain7q20 Chain A Residue 902 [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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PDB7q20 The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L76 D79 D81 Y84 M254 E255
Binding residue
(residue number reindexed from 1)		L28 D31 D33 Y36 M206 E207
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:7q20, PDBe:7q20, PDBj:7q20
PDBsum7q20
PubMed34936658
UniProtA7B6A6

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