Structure of PDB 7cpr Chain C Binding Site BS01

Receptor Information
>7cpr Chain C (length=366) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARILEDSPNARINKTILDRYLSLPLQENIVQATYVWIDGTGEDLRCKDRT
LDFIPQSPKELPVWNYDGSSCYQAEGSNSDTYLYPVAIYKDPFRRGNNIL
VMCDTYKFDGTPTDTNKRKTCLEVANKCAAEEPWFGIEQEYTFLDFDGHP
LGWPKNGFPGPQGPYYCGVGANKVYARDIVDAHYRACLYAGIKVSGTNAE
VMPAQWEFQVGPCEGISIGDDLWMARFLLHRISEEFGIVSTLDPKPMPGD
WNGAGAHTNVSTKAMREDGGIRDIEKAVAKLSKCHERHIRAYDPKQGQDN
ARRLTGKHETSSINDFSAGVANRGCSIRIPRGVNDDGKGYFEDRRPSSNC
DPYSVVEAILRTICLD
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 chain7cpr 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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PDB7cpr Structural Insight into the Contributions of the N-Terminus and Key Active-Site Residues to the Catalytic Efficiency of Glutamine Synthetase 2.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		W136 G138 E140 S197 Q211 V212 G213 P214 N261 S263 Y342
Binding residue
(residue number reindexed from 1)		W134 G136 E138 S195 Q209 V210 G211 P212 N259 S261 Y340
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.1.2: glutamine synthetase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004356 glutamine synthetase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006538 glutamate catabolic process
GO:0006542 glutamine biosynthetic process
GO:0007416 synapse assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cpr, PDBe:7cpr, PDBj:7cpr
PDBsum7cpr
PubMed33327463
UniProtP20478|GLNA2_DROME Glutamine synthetase 2 cytoplasmic (Gene Name=Gs2)

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