Structure of PDB 5hhf Chain C Binding Site BS01

Receptor Information
>5hhf Chain C (length=502) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPDISVDVLVIGAGPTGLGAAKRLNQIDGPSWMIVDSNETPGGLASTDVT
PEGFLYDVAVIFSHYKYFDDCLDEALPKEDDWYTHQRISYVRCQGQWVPY
PFQNNISMLPKEEQVKCIDGMIDAALEARVANTKPKTFDEWIVRMMGTGI
ADLFMRPYNFKVWAVPTTKMQCAWLGERVAAPNLKAVTTNVILGKTAGNW
GPNATFRFPARGGTGGIWIAVANTLPKEKTRFGEKGKVTKVNANNKTVTL
QDGTTIGYKKLVSTMAVDFLAEAMNDQELVGLTKQLFYSSTHVIGVGVRG
SRPERIGDKCWLYFPEDNCPFYRATIFSNYSPYNQPEASAALPTMQLADG
SRPQSTEAKEGPYWSIMLEVSESSMKPVNQETILADCIQGLVNTEMLKPT
DEIVSTYHRRFDHGYPTPTLEREGTLTQILPKLQDKDIWSRGRFGSWRYE
VGNQDHSFMLGVEAVDNIVNGAVELTLNYPDFVNGRQNTERRLVDGAQVF
AK
Ligand information
Ligand IDMRY
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKeyUNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)O
ACDLabs 10.04OCC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CO
FormulaC4 H10 O4
NameMESO-ERYTHRITOL
ChEMBLCHEMBL349605
DrugBankDB04481
ZINCZINC000017971067
PDB chain5hhf Chain C Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hhf In Crystallo Capture of a Covalent Intermediate in the UDP-Galactopyranose Mutase Reaction.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q438 N471 E478 N482
Binding residue
(residue number reindexed from 1)		Q434 N467 E474 N478
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.99.9: UDP-galactopyranose mutase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008767 UDP-galactopyranose mutase activity
GO:0016853 isomerase activity
Biological Process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hhf, PDBe:5hhf, PDBj:5hhf
PDBsum5hhf
PubMed26836146
UniProtQ4W1X2|GLFA_ASPFM UDP-galactopyranose mutase (Gene Name=glfA)

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