Structure of PDB 3o6x Chain B Binding Site BS03

Receptor Information
>3o6x Chain B (length=638) Species: 272559 (Bacteroides fragilis NCTC 9343) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMRFFALQELSNRKPLEITTPSNKLSDYYASHVFDRKKMQEYLPKEAYKA
VVDATEKGTPISREMADLIANGMKSWAKSLNVTHYTHWFQPLTKHDGFIE
FGEDGEVIERFSGKLLTAWDGSSPAFVVDTTLCIPTIFIEALDYKTPLLK
ALAAVDKAATEVCQLFDKNITRVFTNLGWEQEYFLVDTSLYNARPDLRLT
GRTLMGHSIPPRVTAFMKELEIECHKLGIPVKTRHNEVAPNQFELAPIFE
NCNLANDHNQLVMDLMKRIARKHHFAVLFHEKPYNGVNGSGKHNNWSLCT
DTGINLFAPGKNPKGNMLFLTFLVNVLMMVHKNQDLLRASIMSAGNSHRL
GANEAPPAILSIFLGSQLSATLDEIRNRTSPFAFTGNRFEFRAAGSSANC
AAAMIAINAAMANQLNEFKASVDKDEAIFRILKENIIASELIRFEGDGYS
EEWKQEAARRGLTNICHVPEALMHYMDNQSRAVLIGERIFNETELACRLE
VELEKYTMKVQIESRVLGDLAINHIVPIAVSYQNRLLENLCRMKEIFSEE
EYEVMSADRKELIKEISHRVSAIKVLVRDMTEARKVANHKENFKEKAFAY
EETVRPYLESIRDHIDHLEMEIDDEIWPLPKYRELLFT
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 chain3o6x Chain B Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3o6x Crystal Structure of Type III Glutamine Synthetase: Surprising Reversal of the Inter-Ring Interface.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		E215 E217 E286 G338 G340 H342 R398 E403
Binding residue
(residue number reindexed from 1)		E180 E182 E237 G289 G291 H293 R349 E354
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004356 glutamine synthetase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006542 glutamine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3o6x, PDBe:3o6x, PDBj:3o6x
PDBsum3o6x
PubMed21481771
UniProtQ5LGP1

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