Structure of PDB 1tz6 Chain A Binding Site BS02

Receptor Information
>1tz6 Chain A (length=297) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKVWVIGDASVDLVPEKQNSYLKCPGGASANVGVCVARLGGECGFIGCLG
DDDAGRFLRQVFQDNGVDVTFLRLDADLTSAVLIVNSFTYLVHPGADTYV
SPQDLPPFRQYEWFYFSSIGLTDRPAREACLEGARRMREAGGYVLFDVNL
RSKMWGNTDEIPELIARSAALASICKVSADELCQLSGASHWQDARYYLRD
LGCDTTIISLGADGALLITAEGEFHFPAPRVDVVDTTGAGDAFVGGLLFT
LSRANCWDHALLAEAISNANACGAMAVTAKGAMTALPFPDQLNTFLS
Ligand information
Ligand IDAIS
InChIInChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1
InChIKeyNKYAAYKKNSYIIW-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1cc(n(c1)C2OC(C(O)C2O)CO)N
CACTVS 3.341Nc1cncn1[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
CACTVS 3.341Nc1cncn1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1c(n(cn1)C2C(C(C(O2)CO)O)O)N
FormulaC8 H13 N3 O4
Name5-AMINOIMIDAZOLE RIBONUCLEOSIDE
ChEMBL
DrugBankDB04568
ZINCZINC000005955037
PDB chain1tz6 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tz6 Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica; Implications for the Evolution of the Ribokinase Superfamily
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D12 D16 G31 F99 Y101 R162 M165 D252
Binding residue
(residue number reindexed from 1)		D8 D12 G27 F88 Y90 R151 M154 D241
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) C28 F99 G249 A250 G251 D252
Catalytic site (residue number reindexed from 1) C24 F88 G238 A239 G240 D241
Enzyme Commision number 2.7.1.223: aminoimidazole riboside kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008865 fructokinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006000 fructose metabolic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:1tz6, PDBe:1tz6, PDBj:1tz6
PDBsum1tz6
PubMed15458630
UniProtQ8ZKR2|AIRSK_SALTY Aminoimidazole riboside kinase (Gene Name=STM4066)

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