Structure of PDB 2r84 Chain A Binding Site BS01
Receptor Information
>2r84 Chain A (length=329) Species:
2261
(Pyrococcus furiosus) [
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MKVRIATYASHSALQILKGAKDEGFETIAFGSSKVKPLYTKYFPVADYFI
EEKYPEEELLNLNAVVVPTGSFVAHLGIELVENMKVPYFGNKRVLRWESD
RNLERKWLKKAGIRVPEVYEDPDDIEKPVIVKPGKGYFLAKDPEDFWRKA
EKFLGIKRKEDLKNIQIQEYVLGVPVYPHYFYSKVREELELMSIDRRYES
NVDAIGRIPAKDQLEFDMDITYTVIGNIPIVLRESLLMDVIEAGERVVKA
AEELMGGLWGPFCLEGVFTPDLEFVVFEISARIVAGTNIFVNGSPYTWLR
YDRPVSTGRRIAMEIREAIENDMLEKVLT
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
2r84 Chain A Residue 400 [
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Receptor-Ligand Complex Structure
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PDB
2r84
Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
I130 K132 Y142 Q173 Y175 V176 Y227 F282
Binding residue
(residue number reindexed from 1)
I130 K132 Y137 Q168 Y170 V171 Y222 F277
Annotation score
4
Enzymatic activity
Enzyme Commision number
6.3.4.23
: formate--phosphoribosylaminoimidazolecarboxamide ligase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0005524
ATP binding
GO:0016874
ligase activity
GO:0016879
ligase activity, forming carbon-nitrogen bonds
GO:0046872
metal ion binding
Biological Process
GO:0006164
purine nucleotide biosynthetic process
GO:0006188
IMP biosynthetic process
GO:0006189
'de novo' IMP biosynthetic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:2r84
,
PDBe:2r84
,
PDBj:2r84
PDBsum
2r84
PubMed
18069798
UniProt
Q8U0R7
|PURP_PYRFU 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase (Gene Name=purP)
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