Structure of PDB 1nsu Chain B Binding Site BS01

Receptor Information
>1nsu Chain B (length=346) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKIRDFGLGSDLISLTNKAGVTISFTNLGARIVDWQKDGKHLILGFDSA
KEYLEKDAYPGATVGPTAGRIKDGLVKISGKDYILNQNEGPQTLNGGEES
IHTKLWTYEVTDLGAEVQVKFSLVSNDGTNGYPGKIEMSVTHSFDDDNKW
KIHYEAISDKDTVFNPTGHVYFNLNGDASESVENHGLRLAASRFVPLKDQ
TEIVRGDIVDIKNTDLDFRQEKQLSNAFNSNMEQVQLVKGIDHPFLLDQL
GLDKEQARLTLDDTSISVFTDQPSIVIFTANFGDLGTLYHEKKQVHHGGI
TFECQVSPGSEQIPELGDISLKAGEKYQATTIYSLHTKLEHHHHHH
Ligand information
Ligand IDGLA
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain1nsu Chain B Residue 2400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nsu The Catalytic Mechanism of Galactose Mutarotase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y60 R71 H170 D243 E304
Binding residue
(residue number reindexed from 1)		Y59 R70 H169 D242 E303
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N96 H170 E304
Catalytic site (residue number reindexed from 1) N95 H169 E303
Enzyme Commision number 5.1.3.3: aldose 1-epimerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004034 aldose 1-epimerase activity
GO:0016853 isomerase activity
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006012 galactose metabolic process
GO:0019318 hexose metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
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:1nsu, PDBe:1nsu, PDBj:1nsu
PDBsum1nsu
PubMed12717027
UniProtQ9ZB17

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