Structure of PDB 3sr0 Chain B Binding Site BS03

Receptor Information
>3sr0 Chain B (length=203) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAK
EYMERGELVPDDLIIALIEEVFPKHGNVIFDGFPRTVKQAEALDEMLEKK
GLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPPPGVKVIQR
EDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLE
VIG
Ligand information
Ligand IDALF
InChIInChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
InChIKeyUYOMQIYKOOHAMK-UHFFFAOYSA-J
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al-](F)(F)F
FormulaAl F4
NameTETRAFLUOROALUMINATE ION
ChEMBL
DrugBankDB04444
ZINC
PDB chain3sr0 Chain B Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sr0 The energy landscape of adenylate kinase during catalysis.
Resolution1.565 Å
Binding residue
(original residue number in PDB)		R124 R150
Binding residue
(residue number reindexed from 1)		R124 R150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K13 R85 R124 R150 R161
Catalytic site (residue number reindexed from 1) K13 R85 R124 R150 R161
Enzyme Commision number 2.7.4.3: adenylate kinase.
Gene Ontology
Molecular Function
GO:0004017 adenylate kinase activity
GO:0004550 nucleoside diphosphate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016776 phosphotransferase activity, phosphate group as acceptor
GO:0019205 nucleobase-containing compound kinase activity
GO:0050145 nucleoside monophosphate kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009123 nucleoside monophosphate metabolic process
GO:0009132 nucleoside diphosphate metabolic process
GO:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
GO:0044209 AMP salvage
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0043231 intracellular membrane-bounded organelle

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Biological Process
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Cellular Component
External links
PDB RCSB:3sr0, PDBe:3sr0, PDBj:3sr0
PDBsum3sr0
PubMed25580578
UniProtO66490|KAD_AQUAE Adenylate kinase (Gene Name=adk)

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