Structure of PDB 4lps Chain B Binding Site BS04
Receptor Information
>4lps Chain B (length=215) Species:
85962
(Helicobacter pylori 26695) [
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SKNDIKAAEMKERYLKEGLYVLNFMSSPGSGKTTMLENLADFKDFKFCVV
EGDLQTNRDADRLRKKGVSAHQITTGEACHLEASMIEGAFDLLKDEGALE
KSDFLIIENVGNLVCPSSYNLGAAMNIVLLSVPEGDDKVLKYPTMFMCAD
AVIISKADMVEVFNFRVSQVKEDMQKLKPEAPIFLMSSKDPKSLEDFKNF
LLEKKRENYQSTHSF
Ligand information
Ligand ID
GDP
InChI
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
QGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Formula
C10 H15 N5 O11 P2
Name
GUANOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL384759
DrugBank
DB04315
ZINC
ZINC000008215481
PDB chain
4lps Chain B Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
4lps
Relationship between Ni(II) and Zn(II) Coordination and Nucleotide Binding by the Helicobacter pylori [NiFe]-Hydrogenase and Urease Maturation Factor HypB.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
G56 G58 K59 T60 T61 K183 D185 S214 S215
Binding residue
(residue number reindexed from 1)
G29 G31 K32 T33 T34 K156 D158 S187 S188
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003924
GTPase activity
GO:0005525
GTP binding
GO:0008270
zinc ion binding
GO:0016151
nickel cation binding
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
Biological Process
GO:0051604
protein maturation
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Molecular Function
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Biological Process
External links
PDB
RCSB:4lps
,
PDBe:4lps
,
PDBj:4lps
PDBsum
4lps
PubMed
24338018
UniProt
O25560
|HYPB_HELPY Hydrogenase/urease maturation factor HypB (Gene Name=hypB)
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