Structure of PDB 8tfk Chain D Binding Site BS04

Receptor Information
>8tfk Chain D (length=440) Species: 192952 (Methanosarcina mazei Go1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTKEDVLEAVKERDVKFIRTQFTDTLGIIKSWAIPAEQLEEAFENGVMFD
GSSIQGFTRIEESDMKLALDPSTFRILPWRPATGAVARILGDVYLPDGNP
FKGDPRYVLKTAIKEAEKMGFSMNVGPELEFFLFKLDANGNPTTELTDQG
GYFDFAPLDRAQDVRRDIDYALEHMGFQIEASHHEVAPSQHEIDFRFGDV
LCTADNVVTFKYVVKSIAYHKGYYASFMPKPLFGVNGSGMHSNQSLFKDG
KNVFYDPDTPTKLSQDAMYYIGGLLKHIREFTAVTNPVVNSYKRLVPGYE
APVYISWSAQNRSSLIRIPATRGNGTRIELRCPDPACNPYLAFALMLRAG
LEGIKNKIDPGEPTNVNIFHLSDKEREERGIRSLPADLKEAIDEMKGSKF
VKEALGEHVFSHYLCAKEMEWDEYKAVVHPWELSRYLSML
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 chain8tfk Chain D Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tfk M. mazei glutamine synthetase and glutamine synthetase-GlnK1 structures reveal enzyme regulation by oligomer modulation.
Resolution2.66 Å
Binding residue
(original residue number in PDB)		E135 E137 E192 E199 G244 H248 R301 E307 R319 R338
Binding residue
(residue number reindexed from 1)		E128 E130 E185 E192 G237 H241 R294 E300 R312 R331
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
View graph for
Cellular Component
External links
PDB RCSB:8tfk, PDBe:8tfk, PDBj:8tfk
PDBsum8tfk
PubMed37968329
UniProtQ8PY99|GLNA1_METMA Glutamine synthetase (Gene Name=glnA1)

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