Structure of PDB 5ff7 Chain C Binding Site BS03

Receptor Information
>5ff7 Chain C (length=326) Species: 301447 (Streptococcus pyogenes serotype M1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TITLTENKRKSMEKLSVDGVISALAFDQRGALKRMMAQHQTKEPTVEQIE
ELKSLVSEELTPFASSILLDPEYGLPASRVRSEEAGLLLAYEKTGYDATT
TSRLPDCLDVWSAKRIKEAGAEAVKFLLYYDIDGDQDVNEQKKAYIERIG
SECRAEDIPFYLEILTYDEKIADNASPEFAKVKAHKVNEAMKVFSKERFG
VDVLKVEVPVNMKFVEGFADGEVLFTKEEAAQAFRDQEASTDLPYIYLSA
GVSAKLFQDTLVFAAESGAKFNGVLCGRATWAGSVKVYIEEGPQAAREWL
RTEGFKNIDELNKVLDKTASPWTEKM
Ligand information
Ligand IDG3H
InChIInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyLXJXRIRHZLFYRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
ACDLabs 12.01O=P(OCC(O)C=O)(O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
FormulaC3 H7 O6 P
NameGLYCERALDEHYDE-3-PHOSPHATE
ChEMBLCHEMBL1232918
DrugBankDB02263
ZINCZINC000003869936
PDB chain5ff7 Chain C Residue 402 [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)		R29 G30 A31 R34 T94 G95
Binding residue
(residue number reindexed from 1)		R29 G30 A31 R34 T94 G95
Annotation score5
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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