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Structure of PDB 1l6i Chain B Binding Site BS03

Receptor Information

>1l6i Chain B (length=796) Species: 562 (Escherichia coli)

SQPIFNDKQFQEALSRQWQRYGLNSAAEMTPRQWWLAVSEALAEMLRAQP
FAKPVANQRHVNYISMEFLIGRLTGNNLLNLGWYQDVQDSLKAYDINLTD
LLEEEIDPALGNGGLGRLAACFLDSMATVGQSATGYGLNYQYGLFRQSFV
DGKQVEAPDDWHRSNYPWFRHNEALDVQVGIGGKVTKDGRWEPEFTITGQ
AWDLPVVGYRNGVAQPLRLWQATHAHPFDLTKFNDGDFLRAEQQGINAEK
LTKVLYPNDNAFEGKKLRLMQQYFQCACSVADILRRHHLAGRKLHELADY
EVIQLNDTHPTIAIPELLRVLIDEHQMSWDDAWAITSKTFAYTNHTLMPE
ALERWDVKLVKGLLPRHMQIINEINTRFKTLVEKTWPGDEKVWAKLAVVH
DKQVHMANLCVVGGFAVNGVAALHSDLVVKDLFPEYHQLWPNKFHNVTNG
ITPRRWIKQCNPALAALLDKSLQKEWANDLDQLINLEKFADDAKFRQQYR
EIKQANKVRLAEFVKVRTGIEINPQAIFDIQIKRLHEYKRQHLNLLHILA
LYKEIRENPQADRVPRVFLFGAKAAPGYYLAKNIIFAINKVADVINNDPL
VGDKLKVVFLPDYCVSAAEKLIPAADISEQISTAGKEASGTGNMKLALNG
ALTVGTLDGANVEIAEKVGEENIFIFGHTVEQVKAILAKGYDPVKWRKKD
KVLDAVLKELESGKYSDGDKHAFDQMLHSIGKQGGDPYLVMADFAAYVEA
QKQVDVLYRDQEAWTRAAILNTARCGMFSSDRSIRDYQARIWQAKR

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 1l6i Chain D Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1l6i Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): E67 G113 G114 L115 D307 T346
• Binding residue (residue number reindexed from 1): E67 G113 G114 L115 D307 T346
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): H345 K533 R534 K539 T641 K645
• 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

External links

• PDB: RCSB:1l6i, PDBe:1l6i, PDBj:1l6i
• PDBsum: 1l6i
• PubMed: 12217700
• UniProt: P00490|PHSM_ECOLI Maltodextrin phosphorylase (Gene Name=malP)

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