Structure of PDB 7tdv Chain C Binding Site BS02

Receptor Information
>7tdv Chain C (length=443) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTFTKEDIRKFVEEENVRYLRLQFTDILGTIKNVEVPVSQLEKVLDNEMM
FDGSSIEGFVRIEESDMYLHPDLDTWVIFPWTAGQGKVARLICDVYKTDG
TPFEGDPRANLKRVLKEMEDLGFTDFNLGPEPEFFLFKLDEKGEPTLELN
DDGGYFDLAPTDLGENCRRDIVLELEDMGFDIEASHHEVAPGQHEIDFKY
ADAVTACDNIQTFKLVVKTIARKHNLHATFMPKPLFGVNGSGMHFNVSLF
KGKENAFFDPNTEMGLTETAYQFTAGVLKNARGFTAVCNPLVNSYKRLVP
GYEAPCYIAWSGKNRSPLIRVPSSRGLSTRIEVRSVDPAANPYMALAAIL
EAGLDGIKNKLKVPEPVNQNIYEMNREEREAVGIQDLPSTLYTALKAMRE
NEVIKKALGNHIYNQFINSKSIEWDYYRTQVSEWERDQYMKQY
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 chain7tdv Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tdv Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Resolution2.92 Å
Binding residue
(original residue number in PDB)		E134 E136 E191 E198 G243 H247 R300 E306 R318
Binding residue
(residue number reindexed from 1)		E131 E133 E188 E195 G240 H244 R297 E303 R315
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7tdv, PDBe:7tdv, PDBj:7tdv
PDBsum7tdv
PubMed35778410
UniProtE3VXC2

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