Structure of PDB 7lgj Chain A Binding Site BS05

Receptor Information
>7lgj Chain A (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 IDACP
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
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)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H18 N5 O12 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
ChEMBLCHEMBL133463
DrugBankDB03909
ZINCZINC000008295124
PDB chain7lgj Chain A 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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PDB7lgj Structures and function of the amino acid polymerase cyanophycin synthetase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y303 D307
Binding residue
(residue number reindexed from 1)		Y300 D304
Annotation score3
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:7lgj, PDBe:7lgj, PDBj:7lgj
PDBsum7lgj
PubMed34385683
UniProtA0A068N621

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