Structure of PDB 6znx Chain C Binding Site BS01

Receptor Information
>6znx Chain C (length=265) Species: 1577051 (Thermus sp. 2.9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MILVVGSLNMDLVLREDYQTHPGGKGANQAVAIARLGGKVRMLGRVGEDP
FGQALKSGLAQEGVDVAWVLETPGPSGTAFVDPEGQNQIAVAPGANARLV
PEDLPATAFQGVGVVLLQLEIPLETVVRAAALGRKAGARILLNAAPAHAL
PSEILQSVDLLLVNEVEAAQALARQLRGAQVVLLGAQGAVWSGEESHFPA
FPVRAVDTTAAGDAFAGALALGLAEGQNMRAALRFANAAGALATTRPGAQ
PSLPFRDEVEALLFG
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6znx Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6znx Ribokinase from Thermus Species
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N179 L218 G219 F250 N272 G275 A276 T279
Binding residue
(residue number reindexed from 1)		N164 L184 G185 F215 N237 G240 A241 T244
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.15: ribokinase.
Gene Ontology
Molecular Function
GO:0004747 ribokinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006014 D-ribose metabolic process
GO:0016310 phosphorylation
GO:0019303 D-ribose catabolic process
GO:0046835 carbohydrate phosphorylation
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:6znx, PDBe:6znx, PDBj:6znx
PDBsum6znx
PubMed
UniProtA0A0B0SD75

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