Structure of PDB 1gvf Chain B Binding Site BS02

Receptor Information
>1gvf Chain B (length=275) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIISTKYLLQDAQANGYAVPAFNIHNAETIQAILEVCSEMRSPVILAGTP
GTFKHIALEEIYALCSAYSTTYNMPLALHLDHHESLDDIRRKVHAGVRSA
MIDGSHFPFAENVKLVKSVVDFCHSQDCSVEAELGRLGGVESAFLTDPQE
AKRFVELTGVDSLAVAIGTAHGLYSKTPKIDFQRLAEIREVVDVPLVLHG
ASDVPDEFVRRTIELGVTKVNVATELKIAFAGAVKAWFAENPQGNDPRYY
MRVGMDAMKEVVRNKINVCGSANRI
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1gvf Chain B Residue 288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gvf Structure of Tagatose-1,6-Bisphosphate Aldolase; Insight Into Chiral Discrimination, Mechanism and Specificity of Class II Aldolases
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H83 H180 H208
Binding residue
(residue number reindexed from 1)		H82 H171 H199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D82 H83 H180 H208 N230
Catalytic site (residue number reindexed from 1) D81 H82 H171 H199 N221
Enzyme Commision number 4.1.2.40: tagatose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0009025 tagatose-bisphosphate aldolase activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0051289 protein homotetramerization
GO:2001059 D-tagatose 6-phosphate catabolic process
Cellular Component
GO:0005829 cytosol
GO:0032991 protein-containing complex
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1gvf, PDBe:1gvf, PDBj:1gvf
PDBsum1gvf
PubMed11940603
UniProtP0AB74|KBAY_ECOLI D-tagatose-1,6-bisphosphate aldolase subunit KbaY (Gene Name=kbaY)

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