Structure of PDB 7lg5 Chain C Binding Site BS01

Receptor Information
>7lg5 Chain C (length=871) 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
NDVGGYPVVIKPLDGNHGRGITINVRHWQEAIAAYDLAAEESIIVERYYE
GSDHRVLVVNGKLVAVAERIPAHVTGDGSSTISELIEKTNQDPNRGDGHD
NILTKIVVNKTAIDVMERQGYNLDSVLPKDEVVYLRATANLSTGGIAIDR
TDDIHPENIWLMERVAKVIGLDIAGIDVVTSDISKPLRETNGVIVEVNAA
PGFRMHVAPSQGLPRNVAAPVLDMLFPPGTPSRIPILAVTGTNGKTTTTR
LLAHIYRQTGKTVGYTSTDAIYINEYCVEKGDNTGPQSAGVILRDPTVEV
AVLETARGGILRAGLAFDSCDVGVVLNVAADHLGLGDIDTIEQMAKVKSV
IAEVVDPSGYAVLNADDPLVAAMADKVKAKVAYFSMNPDNPIIQAHVRRN
GIAAVYESGYLSILEGSWTLRVEQAKLIPMTMGGMAPFMIANALAACLAA
FVNGLDVEVIRQGVRTFTTSAEQTPGRMNLFNLGQHHALVDYAHNPAGYR
AVGDFVKNWQGQRFGVVGGPGDRRDSDLIELGQIAAQVFDRIIVKEDDDK
RGRSEGETADLIVKGILQENPGASYEVILDETIALNKALDQVEEKGLVVV
FPESVTRAIDLIKVRNPIGEN
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 chain7lg5 Chain C Residue 901 [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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PDB7lg5 Structures and function of the amino acid polymerase cyanophycin synthetase.
Resolution2.63 Å
Binding residue
(original residue number in PDB)		N497 G498 T500 N696 R731 D745
Binding residue
(residue number reindexed from 1)		N493 G494 T496 N692 R727 D741
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:7lg5, PDBe:7lg5, PDBj:7lg5
PDBsum7lg5
PubMed34385683
UniProtA0A068N621

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