Structure of PDB 3h1y Chain A Binding Site BS01

Receptor Information
>3h1y Chain A (length=391) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASMQKLINSVQNYAWGSKTALTELYGIANPQQQPMAELWMGAHPKSSSRI
TNGETVSLRDAIEKNKTAMLGEAVANRFGELPFLFKVLCAAQPLSIQVHP
NKRNSEIGFAKENAAGIPMDAAERNYKDPNHKPELVFALTPFLAMNAFRE
FSDIVSLLQPVAGAHSAIAHFLQVPNAERLSQLFASLLNMQGEEKSRALA
VLKAALNSQQGEPWQTIRVISEYYPDDSGLFSPLLLNVVKLNPGEAMFLF
AETPHAYLQGVALEVMANSDNVLRAGLTPKYIDIPELVANVKFEPKPAGE
LLTAPVKSGAELDFPIPVDDFAFSLHDLALQETSIGQHSAAILFCVEGEA
VLRKDEQRLVLKPGESAFIGADESPVNASGTGRLARVYNKL
Ligand information
Ligand IDF6P
InChIInChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyBGWGXPAPYGQALX-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose
ChEMBLCHEMBL604196
DrugBank
ZINCZINC000004096690
PDB chain3h1y Chain A Residue 392 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h1y Crystal structure of mannose 6-phosphate isomerase from Salmonella typhimurium bound to metal atoms and substrate: Implications for catalytic mechanism
Resolution2.04 Å
Binding residue
(original residue number in PDB)		H99 P100 H131 K132 P133 E134 M266 A267 D270 N271
Binding residue
(residue number reindexed from 1)		H99 P100 H131 K132 P133 E134 M266 A267 D270 N271
Annotation score5
Enzymatic activity
Enzyme Commision number 5.3.1.8: mannose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004476 mannose-6-phosphate isomerase activity
GO:0008270 zinc ion binding
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009298 GDP-mannose biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3h1y, PDBe:3h1y, PDBj:3h1y
PDBsum3h1y
PubMed
UniProtP25081|MANA_SALTY Mannose-6-phosphate isomerase (Gene Name=manA)

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