Structure of PDB 8bpd Chain A Binding Site BS03

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 404 [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)		R35 R77 Y128 D187 W318
Binding residue
(residue number reindexed from 1)		R11 R53 Y104 D163 W294
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]