Structure of PDB 8bpd Chain A Binding Site BS02

Receptor Information
>8bpd Chain A (length=370) Species: 346185 (Flagellimonas eckloniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKWLSGSWGVRLIVEGGVELDKASSYSDWVKGAQNIVDNLPTVGHVFTNF
THRAHGYWFTLRENPYVDVAKEIHPEFVPSLENEKIILDVIDILHKGGKK
VILYIATDGPSARSGTRNNAEYKAAWENYYNAKFDGDEGLAYRTLCKGYI
ERFKGLADGYWLDHVGGIAGELTDFIDMIREVDPSVMIASNGIVENESSN
KSKYFKDENGDDLEVDSDGTNDPDGRKYKIRSFNLNGSYVDFTSGHPTPL
AWGAPPNSWAYEEFTFPEIVDAMASYDPVKHTIKHAWMPMRMKWTSPRAN
LMFDVEQAYRFVRTLTDGGCAITWGNTQTNGSMTKEEMDIMKEVDRRLRM
RPMPDYIPYKRPAGAKLVGE
Ligand information
Ligand ID3CX
InChIInChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m0/s1
InChIKeyINEWUCPYEUEQTN-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CCC(CC1)NCC(CS(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)CC(O)CNC1CCCCC1
CACTVS 3.370O[C@@H](CNC1CCCCC1)C[S](O)(=O)=O
CACTVS 3.370O[CH](CNC1CCCCC1)C[S](O)(=O)=O
FormulaC9 H19 N O4 S
Name(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000002168583
PDB chain8bpd Chain A Residue 403 [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]
PDB8bpd Structural and functional characterization of the novel endo-alpha (1,4)-fucoidanase Mef1 from the marine bacterium Muricauda eckloniae.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y228 W276
Binding residue
(residue number reindexed from 1)		Y204 W252
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.212: endo-(1->4)-fucoidanase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8bpd, PDBe:8bpd, PDBj:8bpd
PDBsum8bpd
PubMed37877949
UniProtA0A0N8WFH1

[Back to BioLiP]