Structure of PDB 7znu Chain A Binding Site BS01
Receptor Information
>7znu Chain A (length=556) Species:
359391
(Brucella abortus 2308) [
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MSLLKIYWRAMQYLAVERTATITMCVASVLVALVTLAEPVLFGRVIQSIS
DKGDIFSPLLMWAALGGFNIMAAVFVARGADRLAHRRRLGVMIDSYERLI
TMPLAWHQKRGTSNALHTLIRATDSLFTLWLEFMRQHLTTVVALATLIPV
AMTMDMRMSLVLIVLGVIYVMIGQLVMRKTKDGQAAVEKHHHKLFEHVSD
TISNVSVVQSYNRIASETQALRDYAKNLENAQFPVLNWWALASGLNRMAS
TFSMVVVLVLGAYFVTKGQMRVGDVIAFIGFAQLMIGRLDQISAFINQTV
TARAKLEEFFQMEDATADRQEPENVADLNDVKGDIVFDNVTYEFPNSGQG
VYDVSFEVKPGQTVAIVGPTGAGKTTLINLLQRVFDPAAGRIMIDGTDTR
TVSRRSLRHAIATVFQDAGLFNRSVEDNIRVGRANATHEEVHAAAKAAAA
HDFILAKSEGYDTFVGERGSQLSGGERQRLAIARAILKDSPILVLDEATS
ALDVETEEKVTQAVDELSHNRTTFIIAHRLSTVRSADLVLFMDKGHLVES
GSFNEL
Ligand information
Ligand ID
ADP
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
7znu Chain A Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
7znu
Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Resolution
4.0 Å
Binding residue
(original residue number in PDB)
F344 G371 A372 G373 K374 T375
Binding residue
(residue number reindexed from 1)
F344 G371 A372 G373 K374 T375
Annotation score
5
Enzymatic activity
Enzyme Commision number
7.5.2.3
: ABC-type beta-glucan transporter.
Gene Ontology
Molecular Function
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0015441
ABC-type beta-glucan transporter activity
GO:0016887
ATP hydrolysis activity
GO:0034040
ATPase-coupled lipid transmembrane transporter activity
GO:0140359
ABC-type transporter activity
Biological Process
GO:0006869
lipid transport
GO:0015775
beta-glucan transport
GO:0055085
transmembrane transport
Cellular Component
GO:0005886
plasma membrane
GO:0016020
membrane
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7znu
,
PDBe:7znu
,
PDBj:7znu
PDBsum
7znu
PubMed
36456825
UniProt
Q2YQ73
|NDVA_BRUA2 Beta-(1-->2)glucan export ATP-binding/permease protein NdvA (Gene Name=ndvA)
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