Structure of PDB 7tdp Chain B Binding Site BS02

Receptor Information
>7tdp Chain B (length=438) Species: 1406 (Paenibacillus polymyxa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYTREDIIRIAEEENVRFIRLQFTDLLGTIKNVEIPVSQLEKALDNKMMF
DGSSIEGYVRIEESDMYLYPDLDTWVVFPWDRVARLICDIYKPDGSPFAG
DPRGILKRVLKEAEELGYTSMNVGPEPEFFLFKTDEKGDPTTELNDQGGY
FDLAPMDLGENCRREIVLKLEEMGFEIEASHHEVAPGQHEIDFKYADAVK
AADQIQTFKLVVKTIARQHGLHATFMPKPLFGVNGSGMHCNQSLFKDNEN
VFYDETDELGLSQTARHYMAGILKHARAMAAITNPTVNSYKRLVPGYEAP
CYVAWSASNRSPMIRIPASRGLSTRVEVRNPDPAANPYLALAVMLRAGLD
GIKRQMALPAPIDRNIYVMSEEERIEEGIPSLPADLKEALSELIRSEVIS
DALGDHALAYFYELKEIEWDMYRTQVHQWERDQYLTLY
Ligand information
Ligand IDP3S
InChIInChI=1S/C5H13N2O6PS/c1-15(13,7-14(10,11)12)3-2-4(6)5(8)9/h4H,2-3,6H2,1H3,(H,8,9)(H2,10,11,12)/t4-,15-/m0/s1
InChIKeyQQFOFBSCSWFFPB-NMAPHRJESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O
CACTVS 3.341C[S](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O
CACTVS 3.341C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O
OpenEye OEToolkits 1.5.0CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N
FormulaC5 H13 N2 O6 P S
NameL-METHIONINE-S-SULFOXIMINE PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000014653634
PDB chain7tdp Chain B Residue 502 [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)		E130 E132 E187 E194 G239 H243 R296 E302 R314 R333
Binding residue
(residue number reindexed from 1)		E126 E128 E183 E190 G235 H239 R292 E298 R310 R329
Annotation score2
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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