Structure of PDB 1c47 Chain A Binding Site BS01

Receptor Information
>1c47 Chain A (length=561) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKIVTVKTKAYPDQKPGTSGLRKRVKVFQSSTNYAENFIQSIISTVEPAQ
RQEATLVVGGDGRFYMKEAIQLIVRIAAANGIGRLVIGQNGILSTPAVSC
IIRKIKAIGGIILTASHNPGGPNGDFGIKFNISNGGPAPEAITDKIFQIS
KTIEEYAICPDLKVDLGVLGKQQFDLENKFKPFTVEIVDSVEAYATMLRN
IFDFNALKELLSGPNRLKIRIDAMHGVVGPYVKKILCEELGAPANSAVNC
VPLEDFGGHHPDPNLTYAADLVETMKSGEHDFGAAFDGDGDRNMILGKHG
FFVNPSDSVAVIAANIFSIPYFQQTGVRGFARSMPTSGALDRVANATKIA
LYETPTGWKFFGNLMDASKLSLCGEESFGTGSDHIREKDGLWAVLAWLSI
LATRKQSVEDILKDHWHKFGRNFFTRYDYEEVEAEGATKMMKDLEALMFD
RSFVGKQFSANDKVYTVEKADNFEYHDPVDGSVSKNQGLRLIFADGSRII
FRLSGTGSAGATIRLYIDSYEKDNAKINQDPQVMLAPLISIALKVSQLQE
RTGRTAPTVIT
Ligand information
Ligand IDG16
InChIInChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-1/t2-,3-,4+,5-,6-/m1/s1
InChIKeyRWHOZGRAXYWRNX-VFUOTHLCSA-M
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O[P](O)([O-])=O)[C@@H]1O
ACDLabs 10.04O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)([O-])=O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OP(=O)(O)[O-])O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O
FormulaC6 H13 O12 P2
Name1,6-di-O-phosphono-alpha-D-glucopyranose;
ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE;
1,6-di-O-phosphono-alpha-D-glucose;
1,6-di-O-phosphono-D-glucose;
1,6-di-O-phosphono-glucose
ChEMBL
DrugBank
ZINC
PDB chain1c47 Chain A Residue 563 [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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PDB1c47 ENHANCED DIFFRACTIVITY OF PHOSPHOGLUCOMUTASE CRYSTALS - USE OF AN ALTERNATE CRYOCRYSTALLOGRAPHIC PROCEDURE
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R22 S116 D291 R292 E375 K388
Binding residue
(residue number reindexed from 1)		R22 S116 D291 R292 E375 K388
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) R22 S116 H117 K129 D287 D289 D291 R292 G379 K388
Catalytic site (residue number reindexed from 1) R22 S116 H117 K129 D287 D289 D291 R292 G379 K388
Enzyme Commision number 5.4.2.2: phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004614 phosphoglucomutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016529 sarcoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1c47, PDBe:1c47, PDBj:1c47
PDBsum1c47
PubMed
UniProtP00949|PGM1_RABIT Phosphoglucomutase-1 (Gene Name=PGM1)

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