Structure of PDB 7fis Chain C Binding Site BS01

Receptor Information
>7fis Chain C (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 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 chain7fis Chain C Residue 501 [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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PDB7fis Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		N28 D98 K148 D149 K200 Y227 V266 D287
Binding residue
(residue number reindexed from 1)		N28 D98 K148 D149 K200 Y227 V266 D287
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:7fis, PDBe:7fis, PDBj:7fis
PDBsum7fis
PubMed34587555
UniProtB0K2C3|BMBP_THEPX Beta-1,2-mannobiose phosphorylase (Gene Name=Teth514_1789)

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