Structure of PDB 1z4n Chain B Binding Site BS02

Receptor Information
>1z4n Chain B (length=204) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSRE
DSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGIKIAL
ASASKNGPFLLERMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAP
SESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSHYTLEFL
KEVW
Ligand information
Ligand IDGL1
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
InChIKeyHXXFSFRBOHSIMQ-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
FormulaC6 H13 O9 P
Name1-O-phosphono-alpha-D-galactopyranose;
ALPHA-D-GALACTOSE-1-PHOSPHATE;
1-O-phosphono-alpha-D-galactose;
1-O-phosphono-D-galactose;
1-O-phosphono-galactose
ChEMBL
DrugBankDB02317
ZINCZINC000004096092
PDB chain1z4n Chain B Residue 1221 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z4n Chemical Confirmation of a Pentavalent Phosphorane in Complex with beta-Phosphoglucomutase
Resolution1.97 Å
Binding residue
(original residue number in PDB)
H20 W24 G46 V47 R49 S116 K117 N118
Binding residue
(residue number reindexed from 1)
H20 W24 G46 V47 R49 S104 K105 N106
Annotation score5
Binding affinityMOAD: Ki=30uM
Enzymatic activity
Catalytic site (original residue number in PDB) D8 L9 D10 T16 K45 S114 A115 K145 E169 D170
Catalytic site (residue number reindexed from 1) D8 L9 D10 T16 K45 S102 A103 K133 E157 D158
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:1z4n, PDBe:1z4n, PDBj:1z4n
PDBsum1z4n
PubMed15826149
UniProtP71447|PGMB_LACLA Beta-phosphoglucomutase (Gene Name=pgmB)

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