Structure of PDB 4bqe Chain B Binding Site BS01

Receptor Information
>4bqe Chain B (length=825) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KISAKANPEADDATEIAGNIVYHAKYSPHFSPLKFGPEQALYATAESLRD
RLIQLWNETYVHFNKVDPKQTYYLSMEYLQGRALTNAIGNLNLQGPYADA
LRTLGYELEEIAEQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRY
RHGLFKQIITKKGQEEIPEDWLEKFSPWEIVRHDVVFPVRFFGKVQVNPD
GSRKWVDGDVVQALAYDVPIPGYGTKNTISLRLWEAKARAEDLDLFQFNE
GEYELAAQLHSRAQQICTVLYPGDATENGKLLRLKQQFFLCSASLQDIIS
RFHERSTTSRKWSEFPSKVAVQMNDTHPTLAIPELMRLLMDDNGLGWDEA
WDVTSKTVAYTNHTVLPEALEKWSQSLMWKLLPRHMEIIEEIDKRFVQTI
RDTRVDLEDKISSLSILDNNPQKPVVRMANLCVVSSHTVNGVAQLHSDIL
KAELFADYVSIWPNKFQNKTNGITPRRWLRFCSPELSDIITKWLKTDKWI
TDLDLLTGLRQFADNEELQSEWASAKTANKKRLAQYIERVTGVSIDPTSL
FDIQVKRIHEYKRQLMNILGVVYRFKKLKEMKPEERKKTVPRTVMIGGKA
FATYTNAKRIVKLVNDVGDVVNSDPEVNEYLKVVFVPNYNVTVAEMLIPG
SELSQHISTAGMEASGTSNMKFALNGCLIIGTLDGANVEIREEVGEENFF
LFGATADQVPRLRKEREDGLFKPDPRFEEAKQFVKSGVFGSYDYGPLLDS
LEGNTGFGRGDYFLVGYDFPSYMDAQAKVDEAYKDRKGWLKMSILSTAGS
GKFSSDRTIAQYAKEIWNIEACPVP
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 chain4bqe Chain B Residue 1842 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bqe Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L93 G138 W494 Y655 N656 V657 T683 S684 K687
Binding residue
(residue number reindexed from 1)		L79 G124 W478 Y639 N640 V641 T667 S668 K671
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H379 K572 R573 K578 T683 K687
Catalytic site (residue number reindexed from 1) H363 K556 R557 K562 T667 K671
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:0009414 response to water deprivation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009507 chloroplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bqe, PDBe:4bqe, PDBj:4bqe
PDBsum4bqe
PubMed
UniProtQ9SD76|PHS2_ARATH Alpha-glucan phosphorylase 2, cytosolic (Gene Name=PHS2)

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