Structure of PDB 1o08 Chain A Binding Site BS01

Receptor Information
>1o08 Chain A (length=221) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSRE
DSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLL
KDLRSNKIKIALASASKNGPFLLERMNLTGYFDAIADPAEVAASKPAPDI
FIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVI
VPDTSHYTLEFLKEVWLQKQK
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 chain1o08 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1o08 The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Resolution1.2 Å
Binding residue
(original residue number in PDB)
D1008 L1009 D1010 H1020 G1046 V1047 R1049 S1114 A1115 S1116 K1117 K1145
Binding residue
(residue number reindexed from 1)
D8 L9 D10 H20 G46 V47 R49 S114 A115 S116 K117 K145
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D1008 L1009 D1010 T1016 K1045 S1114 A1115 K1145 E1169 D1170
Catalytic site (residue number reindexed from 1) D8 L9 D10 T16 K45 S114 A115 K145 E169 D170
Enzyme Commision number 5.4.2.6: beta-phosphoglucomutase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008801 beta-phosphoglucomutase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component
External links
PDB RCSB:1o08, PDBe:1o08, PDBj:1o08
PDBsum1o08
PubMed12637673
UniProtP71447|PGMB_LACLA Beta-phosphoglucomutase (Gene Name=pgmB)

[Back to BioLiP]