Structure of PDB 1nss Chain A Binding Site BS01

Receptor Information
>1nss Chain A (length=339) Species: 1358 (Lactococcus lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIKIRDFGLGSDLISLTNKAGVTISFTNLGARIVDWQKDGKHLILGFDSA
KEYLEKDAYPGATVGPTAGRIKDGLVKISGKDYILNQNEGPQTLHGGEES
IHTKLWTYEVTDLGAEVQVKFSLVSNDGTNGYPGKIEMSVTHSFDDDNKW
KIHYEAISDKDTVFNPTGHVYFNLNGDASESVENHGLRLAASRFVPLKDQ
TEIVRGDIVDIKNTDLDFRQEKQLSNAFNSNMEQVQLVKGIAHPFLLDQL
GLDKEQARLTLDDTSISVFTDQPSIVIFTANFGDLGTLYHEKKQVHHGGI
TFECQVSPGSEQIPELGDISLKAGEKYQATTIYSLHTKL
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain1nss Chain A Residue 1400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nss The Catalytic Mechanism of Galactose Mutarotase
Resolution1.85 Å
Binding residue
(original residue number in PDB)		R71 H96 H170 F279 F283
Binding residue
(residue number reindexed from 1)		R70 H95 H169 F278 F282
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H96 H170 E304
Catalytic site (residue number reindexed from 1) H95 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:1nss, PDBe:1nss, PDBj:1nss
PDBsum1nss
PubMed12717027
UniProtQ9ZB17

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