Structure of PDB 4yj1 Chain A Binding Site BS01

Receptor Information
>4yj1 Chain A (length=600) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFSPLMDFFHSVEGRNYGELRSLTNETYQISENVRCTFLSIQSDPFAPGS
QVRLVCPCTFSLEKVLQTTDLAAANPCRRVAAEDFILRSFHAGYRNGIPR
RTSGAVQVLRPSQHVLERSTVGLVKAHQAEIEIFARVKLPGHGRRIDGHG
AIDIFYNELVPLLEQCVVGLNEEDLHQHVICVHDQEVLRSNLLGAGYVAF
VANGAILPRDAGNSDKPLRDNAVPFQSPKSLECSFTLPHSGKTITGMGLP
PGLTLIAGGGFHGKSTLLRALEVGIYNHVPDDGRTYVVVDPTAVKIRAED
RRSVHGVDISPFINNLPFGKTTNFFVTADASGSTSQAANIMEALELGSQL
LLLDEDTCATNLMYRDALMQMLVPRAQEPITPFVERVADLSQNHGVSSIM
VIGGSGQYFPQARVVLVMNAYQISDCTKEAKEIASNSSLPGDTASVFIPD
VNRCFDPDGSFTTVRRGTKVSGIGTESIRFSEETIDLSMVEQIVEEGQVN
AIAQCLALLYDGEPRIVPEMTTKGGALTQLPSPGGVCEIQRGKFNSNFSS
MIAGCCSHQHDKRLELRTPSCYLPRGFTSATRHIEIGAALNRLRTLRTVT
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 chain4yj1 Chain A Residue 701 [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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PDB4yj1 Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		P263 L273 A277 V278 G315 F316 H317 G318 K319 S320 T321 Y476
Binding residue
(residue number reindexed from 1)		P208 L218 A222 V223 G260 F261 H262 G263 K264 S265 T266 Y421
Annotation score4
Binding affinityMOAD: Kd=885nM
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:4yj1, PDBe:4yj1, PDBj:4yj1
PDBsum4yj1
PubMed26117548
UniProtQ57ZF2

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