Structure of PDB 1nsy Chain A Binding Site BS03
Receptor Information
>1nsy Chain A (length=271) Species:
1423
(Bacillus subtilis) [
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SMQEKIMRELHVKPSIDPKQEIEDRVNFLKQYVKKTGAKGFVLGISGGQD
STLAGRLAQLAVESIREEGGDAQFIAVRLPHGTQQDEDDAQLALKFIKPD
KSWKFDIKSTVSAFSDQYQQETGDQLTDFNKGNVKARTRMIAQYAIGGQE
GLLVLGTDHAAEAVTGFFTKYGDGGADLLPLTGLTKRQGRTLLKELGAPE
RLYLKEPTADLLDEKPQQSDETELGISYDEIDDYLEGKEVSAKVSEALEK
RYSMTEHKRQVPASMFDDWWK
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
1nsy Chain A Residue 4000 [
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Receptor-Ligand Complex Structure
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PDB
1nsy
Crystal structure of NH3-dependent NAD+ synthetase from Bacillus subtilis.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
G44 I45 S46 L79 Q84 R139 T157 T208 A209
Binding residue
(residue number reindexed from 1)
G44 I45 S46 L79 Q84 R139 T157 T208 A209
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
D50 E162
Catalytic site (residue number reindexed from 1)
D50 E162
Enzyme Commision number
6.3.1.5
: NAD(+) synthase.
Gene Ontology
Molecular Function
GO:0003952
NAD+ synthase (glutamine-hydrolyzing) activity
GO:0004359
glutaminase activity
GO:0005524
ATP binding
GO:0008795
NAD+ synthase activity
GO:0016874
ligase activity
GO:0046872
metal ion binding
Biological Process
GO:0009435
NAD biosynthetic process
GO:0030435
sporulation resulting in formation of a cellular spore
Cellular Component
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1nsy
,
PDBe:1nsy
,
PDBj:1nsy
PDBsum
1nsy
PubMed
8895556
UniProt
P08164
|NADE_BACSU NH(3)-dependent NAD(+) synthetase (Gene Name=nadE)
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