Structure of PDB 2wda Chain A Binding Site BS02

Receptor Information
>2wda Chain A (length=742) Species: 1935 (Streptomyces violaceoruber) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADPYDALRRRWLGITLGTGYDPAAEPYASRLAETGERAREHRATMAPTPT
SLWPGHPFDPPAGITFAYGRLWTMTEAYVQEGTGATGDPALLADILRGLD
HLSATVYHPATTRYGNWWEWQIGSPRLLMDITAALYDHLGADRVAAACAA
VDHFVPDAMLGAYTGTSTGANRVDLCRSVALRGVLGRAPAKIALARDALS
PVFPYVTKGDGLYADGSFVQHTWVAYSGTYGQVMLDGLGRLFTLLAGSEW
EVTDPGRQLVLDSVEHAYAPLIHDGLVMDTVNGRAISRGYLKSDDLHVMR
SDHFHGQQLIAAMAVLAGGASNAERERWHARIKGWIERDTVTPVLTAPQF
PVADLTRLHAIADAPGEAAPEPVGHHLFAAMDRAVHRRPAFTAGLAMASD
RIAHYECGNGENPRGWHTGAGMLTWWANGTRADQYTDWFWPTVDWYRLPG
TTVSTKRLADRAGGEWGAPKPDVRWVGGATDGEYAAVGQHLKGLGSTLEA
RKSWFFLDDAVVCLGAGITCADGVPVETVVDNRNLGEGGTQALVRGRHWA
HLEGHGGWIVPGGALRTLREDRTGAWSDINTTSTTERRTRRWQTLWLDHG
TDPAGADYVYTVMPGASRAALARRAADRHWLTVLANDDRRQAVSVPSLGL
TAANFWQAGTAGPLTTTAGASVLVRRRGRTATLRVSEPPRTGEALEIVWD
HPVGAVLRADETVEILATGRRLHLRVTPGVVCTTHECEVTLS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2wda Chain A Residue 1783 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wda Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W653 V668 P669 S670
Binding residue
(residue number reindexed from 1)		W630 V645 P646 S647
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N194 H244 Y253 R307 E429
Catalytic site (residue number reindexed from 1) N171 H221 Y230 R284 E406
Enzyme Commision number 4.2.2.1: hyaluronate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wda, PDBe:2wda, PDBj:2wda
PDBsum2wda
PubMed21287626
UniProtO86516

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