Structure of PDB 6jpn Chain A Binding Site BS07

Receptor Information
>6jpn Chain A (length=770) Species: 1473580 (Defluviitalea phaphyphila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANYETYDGFKVSEEPVLPEKEVHPSLWFTKSDIQKIKEKKNEDSFTAELW
EEISNSPYLTMEIPTDIPSATDSDTDIHKYYGNMSRIAKYNAFMYLMTGK
SEYRLRATEALKRAFDGPIYEMDPTVSGSGVDEIYRAVWAQNFATAYDWI
QPYLSDEDDEIIRERLAKEAQVVYENLYTWGPRPHNALSKPAWGLGTLAL
TLSDHPDASKWLNRALEAANTNTLYFFNKDGHYREGAHYYVYSLVNLIPF
LYHYKNVSGVNYFPEYKNIFEWAVKIRNGRGWMPNVEDSWIKPAPTHMVA
SQYKDTDTDLHSTAKLANILQWSYFNTDFRPWEPDGSYTGASYDDTWDID
QYLTYDSTIEQIKPDVSGTVFMNNSGQTVFRSDWNFNNPNSRYLLFQGVA
EADNHYHYDHLSFIIHAENQMMASDSGYSRNSYGEGIRTSWYLTAEAHNV
ITANGEHPKDVSENTTPVSRYDMDTDFFDFQEKEAVYDGFTFPEKNSYDF
SGKQIRAIGFPRQDYFVVADQLFSDKEVQYDLYLHGGRGEMSGEGNYRLW
TYEDDRYGQEAKMAAWVFPSKESIFIDKEGEVNYEAGAFNSYGYLNARQI
AKDTMFMQIIVPLSKYADIPEVVDLSTDDVVGGTVVKDNEKDTFMQQLNN
AENSLGDITTDATFAYTNENSNNELQHFSVRQGTSLDYKGENIFVSNKPI
TFALDISDETQYKGTIAALNETVELRVKNPVGVPTESVVVNGENIEFSVE
DGYTVIQVAEGGDININFGE
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 chain6jpn Chain A Residue 802 [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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PDB6jpn The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		E287 E401 H407 D409
Binding residue
(residue number reindexed from 1)		E287 E401 H407 D409
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.3: mannuronate-specific alginate lyase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6jpn, PDBe:6jpn, PDBj:6jpn
PDBsum6jpn
PubMed31624143
UniProtA0A4Y5UXE1

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