Structure of PDB 7zhf Chain A Binding Site BS01
Receptor Information
>7zhf Chain A (length=250) Species:
2285
(Sulfolobus acidocaldarius) [
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HHLEVLFQGPSYFIFVLGTAGSGKTTLVKALQDYLLNNELDTAIINLDPA
VEVLPYKPDIDAREYVDVYDVMNKYELGPNSSLVISVDLLLTKAKELKED
LNQLQANYVLVDTPGQIELFAYRDTGKILSSFISEGSKSVSVFLFDSYLS
KDPKSFLSLFLLSSSIKFRIDMPQISVLSKVDLLSSSELERMRSWIEDGS
IIDELGSIDEYSFELVKTIVENLESFPIPVSSTNFSGLDQLYAEVQKVLA
Ligand information
Ligand ID
GNP
InChI
InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKey
UQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
Formula
C10 H17 N6 O13 P3
Name
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBL
CHEMBL1233085
DrugBank
DB02082
ZINC
ZINC000037868676
PDB chain
7zhf Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
7zhf
The GPN-loop GTPase from Sulfolobus acidocaldarius shows a scissors-like motion upon nucleotide hydrolysis
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
A10 G11 G13 K14 T15 T16 K170 D172 T223
Binding residue
(residue number reindexed from 1)
A20 G21 G23 K24 T25 T26 K180 D182 T233
Annotation score
3
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0003924
GTPase activity
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:7zhf
,
PDBe:7zhf
,
PDBj:7zhf
PDBsum
7zhf
PubMed
37962382
UniProt
A0A0U2WWJ1
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