BioLiP

Receptor Information

>2gxs Chain B (length=207) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEFKDFPLKPEILEALHGRGLTTPTPIQAAALPLALEGKDLIGQARTGTG
KTLAFALPIAERLAPSQERGRKPRALVLTPTRELALQVASELTAVAPHLK
VVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVL
DEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNP
VLINVIK

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

PDB chain

2gxs Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	2gxs Crystal Structure and Nucleotide Binding of the Thermus thermophilus RNA Helicase Hera N-terminal Domain.
Resolution	1.66 Å
Binding residue (original residue number in PDB)	F3 L21 T23 T25 Q28 G48 G50 K51 T52
Binding residue (residue number reindexed from 1)	F3 L21 T23 T25 Q28 G48 G50 K51 T52
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0003676	nucleic acid binding
GO:0003724	RNA helicase activity
GO:0005524	ATP binding

PDB	RCSB:2gxs, PDBe:2gxs, PDBj:2gxs
PDBsum	2gxs
PubMed	16890241
UniProt	O07897

[Back to BioLiP]

Structure of PDB 2gxs Chain B Binding Site BS03