Structure of PDB 1ua4 Chain A Binding Site BS03

Receptor Information
>1ua4 Chain A (length=454) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTWEELYKNAIEKAIKSVPKVKGVLLGYNTNIDAIKYLDSKDLEERIIKA
GKEEVIKYSEELPDKINTVSQLLGSILWSIRRGKAAELFVESCPVRFYMK
RWGWNELRMGGQAGIMANLLGGVYGVPVIVHVPQLSRLQANLFLDGPIYV
PTLENGEVKLIHPKEFSGDEENCIHYIYEFPRGFRVFEFEAPRENRFIGS
ADDYNTTLFIREEFRESFSEVIKNVQLAILSGLQALTKENYKEPFEIVKS
NLEVLNEREIPVHLEFAFTPDEKVREEILNVLGMFYSVGLNEVELASIME
ILGEKKLAKELLAHDPVDPIAVTEAMLKLAKKTGVKRIHFHTYGYYLALT
EYKGEHVRDALLFAALAAAAKAMKGNITSLEEIREATSVPVNEKATQVEE
KLRAEYGIKEGIGEVEGYQIAFIPTKIVAKPKSTVGIGDTISSSAFIGEF
SFTL
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1ua4 Chain A Residue 1456 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ua4 Crystal structure of an ADP-dependent glucokinase from Pyrococcus furiosus: implications for a sugar-induced conformational change in ADP-dependent kinase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N292 H342 T343 Y344 I428 V429 P432 I438 G439
Binding residue
(residue number reindexed from 1)		N291 H341 T342 Y343 I427 V428 P431 I437 G438
Annotation score5
Binding affinityMOAD: Ki~0.06mM
PDBbind-CN: -logKd/Ki=4.22,Ki=0.06mM
Enzymatic activity
Enzyme Commision number 2.7.1.-
2.7.1.147: ADP-specific glucose/glucosamine kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004340 glucokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0043843 ADP-specific glucokinase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ua4, PDBe:1ua4, PDBj:1ua4
PDBsum1ua4
PubMed12909015
UniProtQ9V2Z6|GLKA_PYRFU ADP-dependent glucose/glucosamine kinase (Gene Name=glkA)

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