Structure of PDB 1rvg Chain A Binding Site BS01

Receptor Information
>1rvg Chain A (length=299) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVTGLEILKKAREEGYGVGAFNVNNMEFLQAVLEAAEEQRSPVILALSE
GAMKYGGRALTLMAVELAKEARVPVAVHLDHGSSYESVLRALRAGFTSVM
IDKSHEDFETNVRETRRVVEAAHAVGVTVEAELGRLAGIEEKDALLTNPE
EARIFMERTGADYLAVAIGTSHGAYKGKGRPFIDHARLERIARLVPAPLV
LHGASAVPPELVERFRASGGEIGEAAGIHPEDIKKAISLGIAKINTDTDL
RLAFTALIREALNKNPKEFDPRKYLGPAREAVKEVVKSRMELFGSVGRA
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1rvg Chain A Residue 1604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rvg Induced Fit Movements and Metal Cofactor Selectivity of Class II Aldolases: STRUCTURE OF THERMUS AQUATICUS FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H178 G179 G209 S211 D253 T254
Binding residue
(residue number reindexed from 1)		H172 G173 G203 S205 D247 T248
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D80 H81 E140 H178 H208 N251
Catalytic site (residue number reindexed from 1) D80 H81 E140 H172 H202 N245
Enzyme Commision number 4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0004332 fructose-bisphosphate aldolase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006096 glycolytic process
GO:0030388 fructose 1,6-bisphosphate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1rvg, PDBe:1rvg, PDBj:1rvg
PDBsum1rvg
PubMed14699122
UniProtQ9RHA2

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