Structure of PDB 7ag6 Chain A Binding Site BS02

Receptor Information
>7ag6 Chain A (length=302) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRVACVGITVMDRIYYVEGLPTESGKYVARNYTEVGGGPAATAAVAAAR
LGAQVDFIGRVGDDDTGNSLLAELESWGVNTRYTKRYNQAKSSQSAIMVD
TKGERIIINYPSPDLLPDAEWLEEIDFSQWDVVLADVRWHDGAKKAFTLA
RQAGVMTVLDGDITPQDISELVALSDHAAFSEPGLARLTGVKEMASALKQ
AQTLTNGHVYVTQGSAGCDWLENGGRQHQPAFKVDVVDTTGAGDVFHGAL
AVALATSGDLAESVRFASGVAALKCTRPGGRAGIPDCDQTRSFLSLFVLE
HH
Ligand information
Ligand IDRB8
InChIInChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyQTQNAYQDKCBJTC-ARQDHWQXSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)(CO)O)O)O)S(=O)(=O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O
CACTVS 3.385OC[C@@]1(O)O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O8 S
Name6-deoxy-6-sulfo-D-fructose;
[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid
ChEMBL
DrugBank
ZINCZINC000096095523
PDB chain7ag6 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ag6 Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		I9 V11 D13 G39 P40 S95 N109 R138 D244
Binding residue
(residue number reindexed from 1)		I9 V11 D13 G39 P40 S95 N109 R138 D244
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.184: sulfofructose kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0061594 6-deoxy-6-sulfofructose kinase activity
Biological Process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
GO:0061720 6-sulfoquinovose(1-) catabolic process to glycerone phosphate and 3-sulfolactaldehyde
GO:1902777 6-sulfoquinovose(1-) catabolic process
Cellular Component
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:7ag6, PDBe:7ag6, PDBj:7ag6
PDBsum7ag6
PubMed33791429
UniProtP32143|SQUV_ECOLI Sulfofructose kinase (Gene Name=yihV)

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