Structure of PDB 1lgr Chain C Binding Site BS03
Receptor Information
>1lgr Chain C (length=445) [
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SAEHVLTMLNEHEVKFVDLRFTDTKGKEQHVTIPAHQVNAEFFEEGKMFD
GSSIGGWDMVLMPDASTAVIDPFFADSTLIIRCDILEPGTLQGYDRDPRS
IAKRAEDYLRATGIADTVLFGPEPEFFLFDDIRFGASISGSHVAIDDIEG
AWNSSTKYEGGNKGHRPGVKGGYFPVPPVDSAQDIRSEMCLVMEQMGLVV
EAHHHEVATAGQNEVATRFNTMTKKADEIQIYKYVVHNVAHRFGKTATFM
PKPMFGDNGSGMHCHMSLAKNGTNLFSGDKYAGLSEQALYYIGGVIKHAK
AINALANPTTNSYKRLVPPVMLAYSARNRSASIRIPVVASPKARRIEVRF
PDPAANPYLCFAALLMAGLDGIKNKIHPGEPMDIPQVAGSLEEALNALDL
DREFLKAGGVFTDEAIDAYIALRREEDDRVRMTPHPVEFELYYSV
Ligand information
Ligand ID
AMP
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
1lgr Chain C Residue 473 [
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Receptor-Ligand Complex Structure
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PDB
1lgr
Interactions of nucleotides with fully unadenylylated glutamine synthetase from Salmonella typhimurium.
Resolution
2.79 Å
Binding residue
(original residue number in PDB)
E207 T223 F225 H271 S273 R355
Binding residue
(residue number reindexed from 1)
E201 T217 F219 H265 S267 R345
Annotation score
4
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:0016879
ligase activity, forming carbon-nitrogen bonds
GO:0030145
manganese ion binding
GO:0046872
metal ion binding
Biological Process
GO:0006542
glutamine biosynthetic process
GO:0019740
nitrogen utilization
GO:0051260
protein homooligomerization
Cellular Component
GO:0005737
cytoplasm
GO:0016020
membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1lgr
,
PDBe:1lgr
,
PDBj:1lgr
PDBsum
1lgr
PubMed
7727369
UniProt
P0A1P6
|GLN1B_SALTY Glutamine synthetase (Gene Name=glnA)
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