Structure of PDB 7tdp Chain A Binding Site BS01

Receptor Information
>7tdp Chain A (length=439) Species: 1406 (Paenibacillus polymyxa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYTREDIIRIAEEENVRFIRLQFTDLLGTIKNVEIPVSQLEKALDNKMMF
DGSSIEGYVRIEESDMYLYPDLDTWVVFPWSDRVARLICDIYKPDGSPFA
GDPRGILKRVLKEAEELGYTSMNVGPEPEFFLFKTDEKGDPTTELNDQGG
YFDLAPMDLGENCRREIVLKLEEMGFEIEASHHEVAPGQHEIDFKYADAV
KAADQIQTFKLVVKTIARQHGLHATFMPKPLFGVNGSGMHCNQSLFKDNE
NVFYDETDELGLSQTARHYMAGILKHARAMAAITNPTVNSYKRLVPGYEA
PCYVAWSASNRSPMIRIPASRGLSTRVEVRNPDPAANPYLALAVMLRAGL
DGIKRQMALPAPIDRNIYVMSEEERIEEGIPSLPADLKEALSELIRSEVI
SDALGDHALAYFYELKEIEWDMYRTQVHQWERDQYLTLY
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 chain7tdp Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tdp Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		N126 G128 E130 E182 D196 Y199 N245 S247 R319 R329
Binding residue
(residue number reindexed from 1)		N123 G125 E127 E179 D193 Y196 N242 S244 R316 R326
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
GO:0046872 metal ion binding
Biological Process
GO:0006542 glutamine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7tdp, PDBe:7tdp, PDBj:7tdp
PDBsum7tdp
PubMed35778410
UniProtA0A0F0G8G2

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