Structure of PDB 2ecp Chain B Binding Site BS02

Receptor Information
>2ecp Chain B (length=796) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQPIFNDKQFQEALSRQWQRYGLNSAAEMTPRQWWLAVSEALAEMLRAQP
FAKPVANQRHVNYISMEFLIGRLTGNNLLNLGWYQDVQDSLKAYDINLTD
LLEEEIDPALGNGGLGRLAACFLDSMATVGQSATGYGLNYQYGLFRQSFV
DGKQVEAPDDWHRSNYPWFRHNEALDVQVGIGGAVTKDGRWEPEFTITGQ
AWDLPVVGYRNGVAQPLRLWQATHAHPFDLTKFNDGDFLRAEQQGINAEK
LTKVLYPNDNHTAGKKLRLMQQYFQCACSVADILRRHHLAGRELHELADY
EVIQLNDTHPTIAIPELLRVLIDEHQMSWDDAWAITSKTFAYTNHTLMPE
ALERWDVKLVKGLLPRHMQIINEINTRFKTLVEKTWPGDEKVWAKLAVVH
DKQVHMANLCVVGGFAVNGVAALHSDLVVKDLFPEYHQLWPNKFHNVTNG
ITPRRWIKQCNPALAALLDKSLQKEWANDLDQLINLVKLADDAKFRDLYR
VIKQANKVRLAEFVKVRTGIDINPQAIFDIQIKRLHEYKRQHLNLLRILA
LYKEIRENPQADRVPRVFLFGAKAAPGYYLAKNIIFAINKVADVINNDPL
VGDKLKVVFLPDYCVSAAEKLIPAADISEQISTAGKEASGTGNMKLALNG
ALTVGTLDGANVEIAEKVGEENIFIFGHTVKQVKAILAKGYDPVKWRKKD
KVLDAVLKELESGKYSDGDKHAFDQMLHSIGKQGGDPYLVMADFAAYVEA
QKQVDVLYRDQEAWTRAAILNTARCGMFSSDRSIRDYQARIWQAAR
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain2ecp Chain B Residue 998 [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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PDB2ecp The crystal structure of the Escherichia coli maltodextrin phosphorylase-acarbose complex.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		H377 N484 S674 G675
Binding residue
(residue number reindexed from 1)		H345 N449 S639 G640
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H377 K568 R569 K574 T676 K680
Catalytic site (residue number reindexed from 1) H345 K533 R534 K539 T641 K645
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
GO:0031220 maltodextrin phosphorylase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005980 glycogen catabolic process
GO:0030980 alpha-glucan catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ecp, PDBe:2ecp, PDBj:2ecp
PDBsum2ecp
PubMed10220320
UniProtP00490|PHSM_ECOLI Maltodextrin phosphorylase (Gene Name=malP)

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