Structure of PDB 7znu Chain B Binding Site BS02

Receptor Information
>7znu Chain B (length=556) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLLKIYWRAMQYLAVERTATITMCVASVLVALVTLAEPVLFGRVIQSIS
DKGDIFSPLLMWAALGGFNIMAAVFVARGADRLAHRRRLGVMIDSYERLI
TMPLAWHQKRGTSNALHTLIRATDSLFTLWLEFMRQHLTTVVALATLIPV
AMTMDMRMSLVLIVLGVIYVMIGQLVMRKTKDGQAAVEKHHHKLFEHVSD
TISNVSVVQSYNRIASETQALRDYAKNLENAQFPVLNWWALASGLNRMAS
TFSMVVVLVLGAYFVTKGQMRVGDVIAFIGFAQLMIGRLDQISAFINQTV
TARAKLEEFFQMEDATADRQEPENVADLNDVKGDIVFDNVTYEFPNSGQG
VYDVSFEVKPGQTVAIVGPTGAGKTTLINLLQRVFDPAAGRIMIDGTDTR
TVSRRSLRHAIATVFQDAGLFNRSVEDNIRVGRANATHEEVHAAAKAAAA
HDFILAKSEGYDTFVGERGSQLSGGERQRLAIARAILKDSPILVLDEATS
ALDVETEEKVTQAVDELSHNRTTFIIAHRLSTVRSADLVLFMDKGHLVES
GSFNEL
Ligand information
Ligand IDADP
InChIInChI=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
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7znu Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7znu Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		F344 G371 A372 G373 K374 T375 T376
Binding residue
(residue number reindexed from 1)		F344 G371 A372 G373 K374 T375 T376
Annotation score5
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7znu, PDBe:7znu, PDBj:7znu
PDBsum7znu
PubMed36456825
UniProtQ2YQ73|NDVA_BRUA2 Beta-(1-->2)glucan export ATP-binding/permease protein NdvA (Gene Name=ndvA)

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