Structure of PDB 7txv Chain B Binding Site BS06

Receptor Information
>7txv Chain B (length=870) Species: 1147 (Synechocystis sp. PCC 6714) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKILKTLTLRGPNYWSIRRKKLIVMRLDLEDLAERPSNSIPGFYEGLIKV
LPSLVEHFCSPGYQGGFLERVKEGTYMGHIVQHVALELQELVGMTAGFGR
TRETSTPGVYNVVYEYVDEQAGRYAGRAAVRLCRSLVDTGDYPRLELEKD
LEDLRDLGANSALGPSTETIVTEAEARKIPWMLLSARAMVQLGYGVYQQR
IQATLSSHSGILGVELACDKEGTKTILQDAGIPVPRGTTIQYFDDLEEAI
NDVGGYPVVIKPLDGNHGRGITINVRHWQEAIAAYDLAAEESKAIIVERY
YEGSDHRVLVVNGKLVAVAERIPAHVTGDGSSTISELIEKTNQDPNRGDG
HDNILTKIVVNKTAIDVMERQGYNLDSVLPKDEVVYLRATANLSTGGIAI
DRTDDIHPENIWLMERVAKVIGLDIAGIDVVTSDISKPLRETNGVIVEVN
AAPGFRMHVAPSQGLPRNVAAPVLDMLFPPGTPSRIPILAVTGTNGKTTT
TRLLAHIYRQTGKTVGYTSTDAIYINEYCVEKGDNTGPQSAGVILRDPTV
EVAVLETARGGILRAGLAFDSCDVGVVLNVAADHLGLGDIDTIEQMAKVK
SVIAEVVDPSGYAVLNADDPLVAAMADKVKAKVAYFSMNPDNPIIQAHVR
RNGIAAVYESGYLSILEGSWTLRVEQAKLIPMTMGGMAPFMIANALAACL
AAFVNGLDVEVIRQGVRTFTTSAEQTPGRMNLFNLGQHHALVDYAHNPAG
YRAVGDFVKNWQGQRFGVVGGPGDRRDSDLIELGQIAAQVFDRIIVKEDD
DKRGRSEGETADLIVKGILQENPGASYEVILDETIALNKALDQVEEKGLV
VVFPESVTRAIDLIKVRNPI
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 chain7txv Chain B Residue 907 [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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PDB7txv A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N497 G498 K499 T500 T522 E558 F692 N696
Binding residue
(residue number reindexed from 1)		N495 G496 K497 T498 T520 E556 F690 N694
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:7txv, PDBe:7txv, PDBj:7txv
PDBsum7txv
PubMed
UniProtA0A068N621

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