Structure of PDB 3o6x Chain E Binding Site BS04

Receptor Information
>3o6x Chain E (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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3o6x Chain E Residue 4001 [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 E293 F298 N344 S346 R470
Binding residue
(residue number reindexed from 1)		E180 E244 F249 N295 S297 R388
Annotation score5
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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