Structure of PDB 5ff7 Chain A Binding Site BS01

Receptor Information
>5ff7 Chain A (length=325) Species: 301447 (Streptococcus pyogenes serotype M1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITLTENKRKSMEKLSVDGVISALAFDQRGALKRMMAQHQTKEPTVEQIEE
LKSLVSEELTPFASSILLDPEYGLPASRVRSEEAGLLLAYEKTGYDATTT
SRLPDCLDVWSAKRIKEAGAEAVKFLLYYDIDGDQDVNEQKKAYIERIGS
ECRAEDIPFYLEILTYDEKIADNASPEFAKVKAHKVNEAMKVFSKERFGV
DVLKVEVPVNMKFVEGFADGEVLFTKEEAAQAFRDQEASTDLPYIYLSAG
VSAKLFQDTLVFAAESGAKFNGVLCGRATWAGSVKVYIEEGPQAAREWLR
TEGFKNIDELNKVLDKTASPWTEKM
Ligand information
Ligand IDG3P
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyAWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(COP(=O)(O)O)O)O
CACTVS 3.385OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-3-PHOSPHATE
ChEMBLCHEMBL1232920
DrugBankDB02515
ZINCZINC000003830896
PDB chain5ff7 Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ff7 NON-STEREOSPECIFIC SUBSTRATE CLEAVAGE BY TAGATOSE-BISPHOSPHATE CLASS I ALDOLASE
Resolution2.092 Å
Binding residue
(original residue number in PDB)		A25 D27 Q28 K125 E163 K205 S249 A250 L275 G277 R278
Binding residue
(residue number reindexed from 1)		A24 D26 Q27 K124 E162 K204 S248 A249 L274 G276 R277
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.2.40: tagatose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0009024 tagatose-6-phosphate kinase activity
GO:0009025 tagatose-bisphosphate aldolase activity
GO:0016829 lyase activity
GO:0061595 6-deoxy-6-sulfofructose-1-phosphate aldolase activity
Biological Process
GO:0005988 lactose metabolic process
GO:0019512 lactose catabolic process via tagatose-6-phosphate
GO:1902777 6-sulfoquinovose(1-) catabolic process
GO:2001059 D-tagatose 6-phosphate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ff7, PDBe:5ff7, PDBj:5ff7
PDBsum5ff7
PubMed
UniProtP63705|LACD2_STRP1 Tagatose 1,6-diphosphate aldolase 2 (Gene Name=lacD2)

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