Structure of PDB 4yiy Chain A Binding Site BS02

Receptor Information
>4yiy Chain A (length=577) 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
SGAVQVLRPSQHVLERSTVGLVKEIEIFARVKLPGRRIDGHGAIDIFYNE
LVPLLEQCVVGLNEEDLHQHVICVHDQEELRSNLLGAGYVAFVANGAILP
RDAGNSDKPLRDNAVPFQSPKSLECSFTLPHSGKTITGMGLPPGLTLIAG
GGFHGKSTLLRALEVGIYNHVPDDGRTYVVVDPTAVKIRAEDRRSVHGVD
ISPFINNLPFGKTTNFFVTADASGSTSQAANIMEALELGSQLLLLDEDTC
ATNLMYRDALMQMLVPRAQEPITPFVERVADLSQNHGVSSIMVIGGSGQY
FPQARVVLVMNAYQISDCTKEAKEIASNSSSVFIPDVNRCFDPDGSFTTV
RTKVSGIGTESIRFSEETIDLSMVEQIVEEGQVNAIAQCLALLYDGERIV
PEMTTKGGALTQLPSPGGVCFNSNFSSMIAGCCSHQHDKRLELRTPSCYL
PRGFTSATRHIEIGAALNRLRTLRTVT
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain4yiy 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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PDB4yiy Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Resolution3.016 Å
Binding residue
(original residue number in PDB)		P263 V278 G315 F316 G318 K319 S320 T321 Y476
Binding residue
(residue number reindexed from 1)		P200 V215 G252 F253 G255 K256 S257 T258 Y413
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:4yiy, PDBe:4yiy, PDBj:4yiy
PDBsum4yiy
PubMed26117548
UniProtQ57ZF2

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