Structure of PDB 5ho2 Chain A Binding Site BS01

Receptor Information
>5ho2 Chain A (length=803) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDPQFTNVSVHDPSIVKDGDTYYIFGSHIEAAKSKDLMNWEKFTNGYTTP
NNKLYGDLSKNLAGSFKWAGENDADSKGGFAVWAPDVFWNKDYVNEDGTK
GAYMIYYSVSSTYIRSAIGYAVSKHIEGPYKYVDTIVYSGFTKEEAYDAN
SKINKKWTNTNIPKLIEQGKLKGVRADWFHNDGSYNNRDFPNAIDPNLFY
DEKGNLWMAYGSWSGGIFVLPMDKTTGKPIYPGKDGKTPDGRLVDRYFGI
KIAGGYYQSGEGTYIVYDKNTDYYYLYVTYGWLGADGGYNMRQFRSTSPT
GPYVDAKGQSAVLPGEVDNSPYGNKIMGNFLFERKVGDPGTGIGVGYVSP
GHNSVYLDRKTGQQFLVFHTRFPQSGEYHEVRVHQMFMNKNGWPVVAPYR
YAGEKLEKVNKQDVVGEYQLINHGKDYSADIKKQIFVRLNRNNTISGDAT
GTWRKIGHNQAEITIDGETYDGVFVRQWDPTSKRYVMAFTALSNEGVSIW
GSKLADKTDEEIVEDVASDLDLGDTDHVVSNLHLPTEGTRHTVISWTTSD
AKVVSETGVVHRPEVGSAPVTATLTATITKGDATATKVFHITVLPYEEAK
LTAHYSFDNNDLSDSTGNFGPGTITGNRIDNEGGTIAYADGKIGKAAVLN
GQSGIRLPDGLVSSNQYSVSLWVKPEQLTTHTTTFFGAKDPNHWISLVPQ
GWDGNTMLWSGSSPWYDGRTFWKIPTGQWTHLAFSVDNGAVKVYINGVEK
FSGTNFPDVFTGANASFALGVNWWDPPFKGLIDELRIYEGALTPSQVTDL
AQT
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 chain5ho2 Chain A Residue 902 [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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PDB5ho2 Crystal structure of AbnA (open conformation), a GH43 extracellular arabinanase from Geobacillus stearothermophilus
Resolution2.37 Å
Binding residue
(original residue number in PDB)		S649 D651 I686 G687 K688 D826 E827
Binding residue
(residue number reindexed from 1)		S606 D608 I643 G644 K645 D783 E784
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ho2, PDBe:5ho2, PDBj:5ho2
PDBsum5ho2
PubMed
UniProtB3EYN2

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