Structure of PDB 8ro1 Chain A Binding Site BS05

Receptor Information
>8ro1 Chain A (length=1982) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSILEEKSRKWKQLQGKRYSEKKKFGMSDTQKEEMPPEHVRKVIRDHGDM
TSRKYRHDKRVYLGALKYMPHAVLKLLENMPMPWEQIRDVKVLYHITGAI
TFVNDIPRVIEPVYMAQWGTMWIMMRREKRDRRHFKRMRFPPFDDEEPPL
DYADNILDVEPLEPIQMELDPEEDGAVAEWFYDHKPLATTRFVNGPTYRK
WAFSIPQMSTLYRLANQLLTDLVDDNYFYLFDMKSFFTAKALNVAIPGGP
KFEPLVKDLHTDEDWNEFNDINKVIIRAPIRTEYRIAFPFMYNNLISSLP
VQVSWYHTPSVVFIKTEDPDLPAFYYDPLINPIVLSNLKATEENLPEGEE
EDEWELPEDVRPIFEDVPLYTDNTANGLALLWAPRPFNLRSGRTRRAVDV
PLVKSWYREHCPAGMPVKVRVSYQKLLKVFVLNALKHRPPKPQKRRYLFR
SFKATKFFQTTTLDWVEAGLQVLRQGYNMLNLLIHRKNLNYLHLDYNFNL
KPVKTLTTKERKKSRFGNAFHLCREILRLTKLVVDAHVQYRLNNVDAYQL
ADGLQYIFAHVGQLTGMYRYKYKLMRQVRMCKDLKHLIYYRFNTGPVGKG
PGCGFWAPGWRVWLFFLRGITPLLERWLGNLLSRQFEGRHSKGVAKTVTK
QRVESHFDLELRAAVMHDILDMMPDGIKQNKARVILQHLSEAWRCWKANI
PWKVPGLPTPVENMILRYVKAKADWWTNSAHYNRERVRRGATVDKTVCKK
NLGRLTRLYLKSEQERQHNYLKDGPYISAEEAVAIYTTTVHWLESRRFSP
IPFPPLSYKHDTKLLILALERLKESYSVKNRLNQSQREELALIEQAYDNP
HEALSRIKRHMLTQRAFKEVGIEFMDLYTHLIPVYDIEPLEKVTDAYLDQ
YLWYEADKRRLFPAWVKPGDTEPPPLLTYKWCQGLNNLQDVWETSEGECN
VIMETKLEKIAEKMDLTLLNRLLRLIVDHNIADYMTSKNNVLINYKDMNH
TNSFGIIRGLQFASFIVQFYGLVLDLLVLGLRRASEIAGPPQCPNEFLQF
QDVATEIGHPIRLYCRYIDRVWIMFRFSADEARDLIQRYLTEHPDPNNEN
IVGYNNKKCWPRDARMRLMKHDVNLGRAVFWDIKNRLPRSITTVEWENSF
VSVYSKDNPNMLFDMSGFECRILPKCRTANEEFVHRDGVWNLQNEVTKER
TAQCFLKVDEESLSKFHNRIRQILMSSGSTTFTKIVNKWNTALIGLMTYF
REAVVNTQELLDLLVKCENKIQTRIKIGLNSKMPSRFPPVVFYTPKEIGG
LGMLSMGHVLIPQSDLRWMQQTEAGGVTHFRSLIPNLYRYIQPWEAEFVD
SVRVWAEYALKRQEANAQNRRLTLEDLDDSWDRGIPRINTLFQKDRHTLA
YDKGWRVRTEFKAYQILKQNPFWWTHQRHDGKLWNLNNYRTDMIQALGGV
EGILEHTLFRGTYFPTWEGLFWERASGFEESMKFKKLTNAQRSGLNQIPN
RRFTLWWSPTINRANVYVGFQVQLDLTGIFMHGKIPTLKISLIQIFRAHL
WQKIHESVVMDLCQVFDQELDALEIQTVQKETIHPRKSYKMNSSCADVLL
FAQYKWNVSRPSLMADSKDVMDNTTTQKYWLDVQLRWGDYDSHDVERYAR
AKFLDYTTDNMSIYPSPTGVLIAIDLAYNLYSAYGNWFPGMKPLIRQAMA
KIIKANPAFYVLRERIRKGLQLYSSENYGELFSNQIIWFVDDTNVYRVTI
HKTFEGNLTTKPINGAIFIFNPRTGQLFLKIIHTSVWAGQKRLSQLAKWK
TAEEVAALIRSLPVEEQPRQIIVTRKAMLDPLEVHLLDFPNIVIKGSELM
LPFQAIMKVEKFGDLILKATEPQMVLFNLYDDWLKTISSYTAFSRVVLIM
RGMHINPDKTKVILKPDKTTITEPHHIWPTLSDDDWIKVELALKDMILAD
YGKKNNVNVASLTQSEVRDIILGMEISAPSQQ
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain8ro1 Chain A Residue 3000 [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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PDB8ro1 Mechanism for the initiation of spliceosome disassembly.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K434 H576 K601 H602 Y605 K615 G616
Binding residue
(residue number reindexed from 1)		K418 H560 K585 H586 Y589 K599 G600
Annotation score4
External links
PDB RCSB:8ro1, PDBe:8ro1, PDBj:8ro1
PDBsum8ro1
PubMed38925148
UniProtP34369|PRP8_CAEEL Pre-mRNA-splicing factor 8 homolog (Gene Name=prp-8)

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