Structure of PDB 4ozl Chain A Binding Site BS01

Receptor Information
>4ozl Chain A (length=104) Species: 523841 (Haloferax mediterranei ATCC 33500) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPNDGGIKLVMAIIRPDKLADVKTALAEVGAPSLTVTNVSGRGSDLHQK
VKVECVVADTPAEDVADAIADAAHTGEKGDGKIFILPVENAIQVRTGKTG
RDAV
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 chain4ozl Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ozl The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Resolution1.4942 Å
Binding residue
(original residue number in PDB)		I18 G46 R47 G98 G100 K101
Binding residue
(residue number reindexed from 1)		I14 G42 R43 G79 G81 K82
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.97,Kd=10.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0030234 enzyme regulator activity
Biological Process
GO:0006808 regulation of nitrogen utilization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ozl, PDBe:4ozl, PDBj:4ozl
PDBsum4ozl
PubMed24946894
UniProtB8ZYW1|GLNK2_HALMT Nitrogen regulatory protein GlnK2 (Gene Name=glnK2)

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