Structure of PDB 7txu Chain D Binding Site BS05

Receptor Information
>7txu Chain D (length=869) Species: 1147 (Synechocystis sp. PCC 6714) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKILKTLTLRGPNYWSIRRKKLIVMRLDLEDLAERPSNSIPGFYEGLIKV
LPSLVEHFCSPGYQGGFLERVKEGTYMGHIVEHVALELQELVGMTAGFGR
TRETSTPGVYNVVYEYVDEQAGRYAGRAAVRLCRSLVDTGDYPRLELEKD
LEDLRDLGANSALGPSTETIVTEAEARKIPWMLLSARAMVQLGYGVYQQR
IQATLSSHSGILGVELACDKEGTKTILQDAGIPVPRGTTIQYFDDLEEAI
NDVGGYPVVIKPLDGNHGRGITINVRHWQEAIAAYDLAAEESKIIVERYY
EGSDHRVLVVNGKLVAVAERIPAHVTGDGSSTISELIEKTNQDPNRGDGH
DNILTKIVVNKTAIDVMERQGYNLDSVLPKDEVVYLRATANLSTGGIAID
RTDDIHPENIWLMERVAKVIGLDIAGIDVVTSDISKPLRETNGVIVEVNA
APGFRMHVAPSQGLPRNVAAPVLDMLFPPGTPSRIPILAVTGTNGKTTTT
RLLAHIYRQTGKTVGYTSTDAIYINEYCVEKGDNTGPQSAGVILRDPTVE
VAVLETARGGILRAGLAFDSCDVGVVLNVAADHLGLGDIDTIEQMAKVKS
VIAEVVDPSGYAVLNADDPLVAAMADKVKAKVAYFSMNPDNPIIQAHVRR
NGIAAVYESGYLSILEGSWTLRVEQAKLIPMTMGGMAPFMIANALAACLA
AFVNGLDVEVIRQGVRTFTTSAEQTPGRMNLFNLGQHHALVDYAHNPAGY
RAVGDFVKNWQGQRFGVVGGPGDRRDSDLIELGQIAAQVFDRIIVKEDDD
KRGRSEGETADLIVKGILQENPGASYEVILDETIALNKALDQVEEKGLVV
VFPESVTRAIDLIKVRNPI
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7txu Chain D Residue 905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7txu A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G268 I271 Y302 Y303 D307
Binding residue
(residue number reindexed from 1)		G268 I271 Y299 Y300 D304
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.29: cyanophycin synthase (L-aspartate-adding).
6.3.2.30: cyanophycin synthase (L-arginine-adding).
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
GO:0071160 cyanophycin synthetase activity (L-aspartate-adding)
GO:0071161 cyanophycin synthetase activity (L-arginine-adding)
Biological Process
GO:0009058 biosynthetic process
GO:0009059 macromolecule biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7txu, PDBe:7txu, PDBj:7txu
PDBsum7txu
PubMed
UniProtA0A068N621

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