Structure of PDB 7fiq Chain B Binding Site BS01

Receptor Information
>7fiq Chain B (length=302) Species: 399726 (Thermoanaerobacter sp. X514) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFRLTRLSNKPILSPIKEHEWEKEAVFNAAVIYEGNKFHLFYRASNNKFV
LNTEKPEEKYKFVSSIGYAVSEDGINFERFDKPVLVGEIPQEAWGVEDPR
ITKIDNKYYMLYTGFGGRDWLDFRICMVWSDDLKNWKGHRIVLDEPNKDA
ALLSEKINGKYVLFHRRMPDIWIAYSDDLVNWYNHKIIMSPKSHTWESKK
IGIAGPPIKREDGWLLIYHGVDNNNVYRLGVALLDLKDPSKVIARQKEPI
LEPELDWEINGLVPNVVFSCGAVEVNDMYYVYYGAADTHIGVAVIEKEKV
KF
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7fiq Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fiq Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		R43 F62 E97 F115 K148
Binding residue
(residue number reindexed from 1)		R43 F62 E97 F115 K148
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.1.339: beta-1,2-mannobiose phosphorylase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
Biological Process
GO:0009298 GDP-mannose biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7fiq, PDBe:7fiq, PDBj:7fiq
PDBsum7fiq
PubMed34587555
UniProtB0K2C3|BMBP_THEPX Beta-1,2-mannobiose phosphorylase (Gene Name=Teth514_1789)

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