Structure of PDB 7pmo Chain D Binding Site BS03

Receptor Information
>7pmo Chain D (length=846) Species: 411470 (Mediterraneibacter gnavus ATCC 29149) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAPPLVNLAEEKDVKVTVGENMDLKNADLLTDGDKYYLQHDATGNKEGNN
WENYQEQGTEVTSTAEGKNGVWVQVDLGASYPLEVINLKRQVYDGQATIG
NGNPSGQGKRLKGTKISYKNTAIVIGNEEDLSDGQIVYYEGNPTLPDGVK
QPENVSKPYEEAMGGQWFYMDYANKNGLGATELGTTKEARYIRVYTENPK
GAAVKFMELGIYGYENEQDVQSQDGPRRVIDNEHPMMIATAYSNDVYEIG
QEEGPELQGSNTVDGRWNAIPDDLKENNVLLLHTNNLRQFAPDHIGQAYL
QAFHEHGLQIAYEQGAPIMLLGLTAAATPENGGTQYNITADMDYGWLDLM
YRMYPNMQGVFNTENFWAGIHPPCEGSAKMLEIADRFGGFFVWSDQDHGS
TVTNIVSNANMKKALEKHGDAFYLIYKNTSSNQPDDLKTSSFFQGSWLAG
YTGGWGMLSDTWAWDKQFSKLWQGAGSYNNWQRLCGEPEALLGMQMMSTY
LGGGVIYTFEFPEIVYGTSNTNSPANTHVLTELFRYIVNHPAPSKKEIME
ETKAVLYGNVSSDFYSGLSGKPTGFQIYETGRYGIIPVIPTWGTRAEVTK
KLIQEADKLGVTPPNVLDVKDKNLSGQAKQKYFKDLYPIEYVGNAFADKW
EGTWYLYNNKVNTNEKQHAILPLEGEEESARLKVEMEPHEFMIMNESGDG
TAMDITLNNYRVNKDEIIFDNKFGLTWTGDFSPGQTTINGKLSVYKYMDE
YNVVNAPEGKLSPEDNELRTTTFELTKLAKEPKVQVVKGQQPDTDGQPQY
TEPKVEFNEETGKAVITIQTNGWVDLSITGLEFVYDENAQKIEDEP
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 chain7pmo Chain D Residue 909 [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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PDB7pmo 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.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L76 D79 D81 Y84 M254 E255
Binding residue
(residue number reindexed from 1)		L29 D32 D34 Y37 M207 E208
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:7pmo, PDBe:7pmo, PDBj:7pmo
PDBsum7pmo
PubMed34936658
UniProtA7B6A6

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