Structure of PDB 5ok1 Chain A Binding Site BS02

Receptor Information
>5ok1 Chain A (length=218) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKAVLFDLNGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSRE
DSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLL
KDLRSNKIKIALASASKNGPFLLERMNLTGYFDAIADPAEVAASKPAPDI
FIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVI
VPDTSHYTLEFLKEVWLQ
Ligand information
Ligand IDB16
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)/t2-,3-,4+,5-,6+/m1/s1
InChIKeyRWHOZGRAXYWRNX-DVKNGEFBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O[P](O)(O)=O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@@H](O[P](O)(O)=O)[C@@H]1O
FormulaC6 H14 O12 P2
Name1,6-di-O-phosphono-beta-D-glucopyranose;
1,6-di-O-phosphono-beta-D-glucose;
1,6-di-O-phosphono-D-glucose;
1,6-di-O-phosphono-glucose
ChEMBL
DrugBank
ZINCZINC000012502703
PDB chain5ok1 Chain A Residue 302 [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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PDB5ok1 van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Resolution1.86 Å
Binding residue
(original residue number in PDB)		D8 L9 N10 L44 V47 R49 S114 A115 S116 K117 N118
Binding residue
(residue number reindexed from 1)		D8 L9 N10 L44 V47 R49 S114 A115 S116 K117 N118
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D8 L9 N10 T16 K45 S114 A115 K145 E169 D170
Catalytic site (residue number reindexed from 1) D8 L9 N10 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ok1, PDBe:5ok1, PDBj:5ok1
PDBsum5ok1
PubMed
UniProtP71447|PGMB_LACLA Beta-phosphoglucomutase (Gene Name=pgmB)

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