Structure of PDB 6f90 Chain B Binding Site BS01

Receptor Information
>6f90 Chain B (length=708) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGEITKYVNPFIGTGALSGNNYPGATSPFGMIQLSPDTSEAPNWGDASGY
DYNRNTIFGFSHTRLSGTGASDLIDITLMPTSSGRTSSAFTHDEEKARPG
YYQVMLKDENINAELTTTQRNGIHRYQYPAGKDAEIILDMDHSADKGSWG
RRIINSQIRILNDHAVEGYRIITGWAKLRKIYFYMEFSSPILTSTLRDGG
RVHENTAVINGTNLHGCFRFGQLNGKPLTCKVALSSVSMENARQNMEQEA
PHWDFDRYVAAADADWEKQLGKIEVKGTEVQKEIFYTALYHTMIQPNTMS
DVNGEYMAADYTTRKVANNETHYTTFSLWDTFRASHPLYTLLEPERVTDF
VKSMIRQYEYYGYLPIWQLWGQDNYCMIGNHSIPVITDAILKGIPGIDME
KAYEAVYNSSVTSHPNSPFEVWEKYGFMPENIQTQSVSITLEQAFDDWCV
AQLAAKLNKDADYQRFHKRSEYYRNLFHPKTKFFQSKNDKGEWIEPFDPY
QYGGNGGHPFTEGNAWQYFWYVPHNIQALMELTGGTKAFEQKLDTFFTST
YKMNHNASGFVGQYAHGNEPSHHVAYLYNFAGQPWKTQKYVSHILNTLYN
NTSSGYAGNDDCGQMSAWYVFSAMGFYPVNPADGRYIIGSPLLDECTLKL
AGNKEFRIRTIRKSPEDIYIQSVTLNGKKHKDFFITHQDIMNGGTMVFKM
GKKPSGWG
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 chain6f90 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6f90 Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N594 E595 D637
Binding residue
(residue number reindexed from 1)		N568 E569 D611
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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:6f90, PDBe:6f90, PDBj:6f90
PDBsum6f90
PubMed29717710
UniProtQ8A325

[Back to BioLiP]