Structure of PDB 4yix Chain A Binding Site BS03

Receptor Information
>4yix Chain A (length=579) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPLMDFFHSVEGRNYGELRSLTNETYQISENVRCTFLSIQSDPFAPGSQV
RLVCPCTFSLEKVLQTTDLAAANPCRRVAAEDFILRSFHAGYRNGIPRRT
SGAVQVLRPSQHVLERSTVGLVKEIEIFARVKLPGGRRIDGHGAIDIFYN
ELVPLLEQCVVGLNEEDLHQHVICVHDQEELRSNLLGAGYVAFVANGAIL
PRDAGNSDKPLRDNAVPFQSPKSLECSFTLPHSGKTITGMGLPPGLTLIA
GGGFHGKSTLLRALEVGIYNHVPDDGRTYVVVDPTAVKIRAEDRRSVHGV
DISPFINNLPFGKTTNFFVTADASGSTSQAANIMEALELGSQLLLLDEDT
CATNLMYRDALMQMLVPRAQEPITPFVERVADLSQNHGVSSIMVIGGSGQ
YFPQARVVLVMNAYQISDCTKEAKEIASNSSSVFIPDVNRCFDPDGSFTT
VRTKVSGIGTESIRFSEETIDLSMVEQIVEEGQVNAIAQCLALLYDGEPR
IVPEMTTKGGALTQLPSPGGVCFNSNFSSMIAGCCSHQHDKRLELRTPSC
YLPRGFTSATRHIEIGAALNRLRTLRTVT
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 chain4yix Chain A Residue 715 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yix Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		P263 V278 F316 H317 G318 K319 S320 T321 Y476
Binding residue
(residue number reindexed from 1)		P201 V216 F254 H255 G256 K257 S258 T259 Y414
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0003729 mRNA binding
GO:0046872 metal ion binding
Biological Process
GO:0000963 mitochondrial RNA processing
GO:0016554 cytidine to uridine editing
GO:0048255 mRNA stabilization
GO:0090615 mitochondrial mRNA processing
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0031019 mitochondrial mRNA editing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4yix, PDBe:4yix, PDBj:4yix
PDBsum4yix
PubMed26117548
UniProtQ57ZF2

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