Structure of PDB 3s7z Chain B Binding Site BS02

Receptor Information
>3s7z Chain B (length=235) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMKHTIGILGGMGPAATADMLEKFVELRHASCDQQHIPLIVSSIPDIP
DRTACLLSGGPSPYRYLERYLHMLEDAGAECIVIPCNTAHYWFDDLQNVA
KARMISILDATLGDIPPSARHVGLLATNATLATGLYQKKALARGLTLIQP
EDAGQALVMQAIYTLKRGDKTAAQALLLPQIDSLIARGAQAIIMGCTEIP
LIVAGHERAIACPMIDSTASLVRAAIRWYESWPDT
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain3s7z Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s7z Crystal Structure of Putative Aspartate Racemase from Salmonella Typhimurium Complexed with Succinate.
Resolution2.002 Å
Binding residue
(original residue number in PDB)		D106 K136
Binding residue
(residue number reindexed from 1)		D109 K139
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A15 R49 C83 T85 T124 K163 C193
Catalytic site (residue number reindexed from 1) A18 R52 C86 T88 T127 K166 C196
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016597 amino acid binding
GO:0016743 carboxyl- or carbamoyltransferase activity
GO:0016853 isomerase activity
GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
GO:0036361 racemase activity, acting on amino acids and derivatives
GO:0046872 metal ion binding
GO:0047661 amino-acid racemase activity
Biological Process
GO:0006520 amino acid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3s7z, PDBe:3s7z, PDBj:3s7z
PDBsum3s7z
PubMed
UniProtQ8ZJZ9

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