Structure of PDB 5lr8 Chain B Binding Site BS01

Receptor Information
>5lr8 Chain B (length=843) Species: 112509 (Hordeum vulgare subsp. vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDSSAIASNIQHHADFTPLFSPEHSSPLKAYHATAKSVFDSLIMNWNATY
DYYNKVNAKQAYYLSMEFLQGRALTNAIGNLELTGQYAEALKQLGHNLED
VASQEPDPALGNGGLGRLASCFLDSLATLNYPAWGYGLRYRYGLFKQIIT
KDGQEEVAENWLEMGNPWEIVRNDVSYPVKFYGKVVEGTDGRKHWIGGEN
IKAVAHDVPIPGYKTKTTNNLRLWSTTVPSQNFDLGAFNAGDHAKANEAH
LNAEKICHVLYPGDESSEGKILRLKQQYTLCSASLQDIISRFESRAGDSL
NWEDFPSKVAVQMNDTHPTLCIPELMRILMDIKGLSWNEAWSITERTVAY
TNHTVLPEALEKWSLDIMQKLLPRHVEIIETIDEELMNNIVSKYGTADIS
LLKQKLKDMRILDNVDLPASVAKLFIKELDPFAKYDPQFPRVVRMANLCV
VGGHSVNGVAEIHSEIVKQDVFNSFYEMWPTKFQNKTNGVTPRRWIRFCN
PELSTIISKWIGSDDWILNTDKLAGLKKFADDEDLQSEWRTAKRNNKMKV
VSLIRDKTGYIVSPDAMFDVQVKRIHEYKRQLLNILGIVYRYKKMKEMSA
KDRRKSFVPRVCIFGGKAFATYVQAKRIVKFITDVAATVNYDPDIGDLLK
VVFVPDYNVSVAETLIPASELSQHISTAGMEASGTSNMKFAMNGCLLIGT
LDGANVEIREEVGEENFFLFGAHAPEIAGLRQERAEGKFVPDLRFEEVKE
YVRSGVFGTSNYDELMGSLEGNEGYGRADYFLVGKDFPSYIECQEKVDEA
YRDQKLWTRMSILNTAGSPKFSSDRTIHEYAKDIWDISPVIMP
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5lr8 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lr8 Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L137 G182 W620 Y782 N783 V784 T810 S811 K814
Binding residue
(residue number reindexed from 1)		L69 G114 W495 Y657 N658 V659 T685 S686 K689
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H421 K698 R699 K704 T810 K814
Catalytic site (residue number reindexed from 1) H353 K573 R574 K579 T685 K689
Enzyme Commision number 2.4.1.1: glycogen phosphorylase.
Gene Ontology
Molecular Function
GO:0004645 1,4-alpha-oligoglucan phosphorylase activity
GO:0008184 glycogen phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009266 response to temperature stimulus
GO:0009414 response to water deprivation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5lr8, PDBe:5lr8, PDBj:5lr8
PDBsum5lr8
PubMed28407006
UniProtF2E0G2

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