Structure of PDB 2fue Chain A Binding Site BS01

Receptor Information
>2fue Chain A (length=246) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVLCLFDVDGTLTPARQKIDPEVAAFLQKLRSRVQIGVVGGSDYCKIAEQ
LGDGDEVIEKFDYVFAENGTVQYKHGRLLSKQTIQNHLGEELLQDLINFC
LSYMALLRLPKKRGTFIEFRNGMLNISPIGRSCTLEERIEFSELDKKEKI
REKFVEALKTEFAGKGLRFSRGGMISFDVFPEGWDKRYCLDSLDQDSFDT
IHFFGNETSPGGNDFEIFADPRTVGHSVVSPQDTVQRCREIFFPET
Ligand information
Ligand IDM1P
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-RWOPYEJCSA-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-mannopyranose;
ALPHA-D-MANNOSE 1-PHOSPHATE;
1-O-phosphono-alpha-D-mannose;
1-O-phosphono-D-mannose;
1-O-phosphono-mannose
ChEMBLCHEMBL291890
DrugBankDB17678
ZINCZINC000004095569
PDB chain2fue Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fue The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		R28 R132 R143 R150 G185 M186 I187 S188 D190
Binding residue
(residue number reindexed from 1)		R16 R120 R131 R138 G173 M174 I175 S176 D178
Annotation score5
Enzymatic activity
Enzyme Commision number 5.4.2.8: phosphomannomutase.
Gene Ontology
Molecular Function
GO:0004615 phosphomannomutase activity
GO:0005515 protein binding
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006013 mannose metabolic process
GO:0006487 protein N-linked glycosylation
GO:0009298 GDP-mannose biosynthetic process
GO:1990830 cellular response to leukemia inhibitory factor
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0043025 neuronal cell body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fue, PDBe:2fue, PDBj:2fue
PDBsum2fue
PubMed16540464
UniProtQ92871|PMM1_HUMAN Phosphomannomutase 1 (Gene Name=PMM1)

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