Structure of PDB 5ff7 Chain A Binding Site BS04

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5ff7 Chain A Residue 3004 [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)		E83 E84
Binding residue
(residue number reindexed from 1)		E82 E83
Annotation score1
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

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Molecular Function
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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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