Structure of PDB 8h97 Chain A Binding Site BS01

Receptor Information
>8h97 Chain A (length=619) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQAKVSVNLNVKHVVGGISEFDRTKYITIHANQIENEWDGDNFTSDLRDH
FLNGFDVYLGRDTGGITWNLNNMQEDASRPGFANPSNIISKGINTRNNYA
SKTHLHVYENRKSNHVVAAQLHPFWTGESQIATKGTGWELASPTATGEYM
GRYFNEFYGGNGEPVPSWIEVINEPAYEALGGKKNFTNSLQEIADFHVEV
ADAIRVQNPNLKIGGYTAAFPDFETGDFQRWINRDKLFIDVAGEKMDFWS
WHLYDFPVIGGKEDIRSGSNVEATFDMHDHYSMLKLGHKKPYVISEYGAQ
THDFRNEGWSSYRDWLFVRAQNSLMMSFMERPEDIAMAIPFTIVKAEWGF
NTDKNLPYPARLMRKANEPESYTGEWVYTDRVKFYDLWKNVKGTRIDTKS
TDLDIQVDAYVDGNKGYLILNNLESEETEITLDVFEKYDSSITNILKRHL
TLSSNNVVIEEETFSSSISTVQLGAGSTMILEYTFANSLTIDETSTEEKY
YADSYLQPIVASQPILFAVNNVVKSATYGEAVLRLGLGRDHGKSLKPIVK
VNNTEVVVPDDWRGYDQADKGRFFGTIEIPVSYDLLTTNNTVSVEFPDSS
GHVSSVIMQVFNFSSDIRT
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 chain8h97 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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PDB8h97 Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Resolution2.194 Å
Binding residue
(original residue number in PDB)		D430 D587 W588 G590
Binding residue
(residue number reindexed from 1)		D404 D561 W562 G564
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.81: beta-agarase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033916 beta-agarase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8h97, PDBe:8h97, PDBj:8h97
PDBsum8h97
PubMed36746585
UniProtA0A516RTC5

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