Structure of PDB 7tdv Chain H Binding Site BS02

Receptor Information
>7tdv Chain H (length=442) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFTKEDIRKFVEEENVRYLRLQFTDILGTIKNVEVPVSQLEKVLDNEMMF
DGSSIEGFVRIEESDMYLHPDLDTWVIFPWTAGQGKVARLICDVYKTDGT
PFEGDPRANLKRVLKEMEDLGFTDFNLGPEPEFFLFKLDEKGEPTLELND
DGGYFDLAPTDLGENCRRDIVLELEDMGFDIEASHHEVAPGQHEIDFKYA
DAVTACDNIQTFKLVVKTIARKHNLHATFMPKPLFGVNGSGMHFNVSLFK
GKENAFFDPNTEMGLTETAYQFTAGVLKNARGFTAVCNPLVNSYKRLVPG
YEAPCYIAWSGKNRSPLIRVPSSRGLSTRIEVRSVDPAANPYMALAAILE
AGLDGIKNKLKVPEPVNQNIYEMNREEREAVGIQDLPSTLYTALKAMREN
EVIKKALGNHIYNQFINSKSIEWDYYRTQVSEWERDQYMKQY
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 H 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 G245 H247 R300 E306 R318 R337
Binding residue
(residue number reindexed from 1)		E130 E132 E187 E194 G239 G241 H243 R296 E302 R314 R333
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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