Structure of PDB 7ktr Chain A Binding Site BS01

Receptor Information

>7ktr Chain A (length=3042) Species: 9606 (Homo sapiens)

AAAAAAAAAAAAAAAAAETLRPLAYSTLADLVHHVRQHLPLSDLSLAVQL
FAKNIDDESLPSSIQTMSCKLLLNLVDCIRSKSEQESGNGRDVLMRMLEV
FVLKFHTIARYQLSAIFKKCKPQSDKEDKQTFQVTDCRSLVKTLVCGVKT
ITWGITSCKAPGAQFIPNKQLQPKETQIYIKLVKYAMQALDIYQVQIAGN
GQTYIRVANCQTVRMKEEKEVLEHFAGVFTMMNPLTFKEIFQTTVPYMVE
RISKNYALQIVANSFLANPTTSALFATILVEYLLDRLPEMGSNVELSNLY
LKLFKLVFGSVSLFAAENEQMLKPHLHKIVNSSMELAQTAKEPYNYFLLL
RALFRSIGGGSHDLLYQEFLPLLPNLLQGLNMLQSGLHKQHMKDLFVELC
LTVPVRLSSLLPYLPMLMDPLVSALNGSQTLVSQGLRTLELCVDNLQPDF
LYDHIQPVRAELMQALWRTLRNPADSISHVAYRVLGKFGGSNRKMLKESQ
KLHYVVTEVQGPSITVEFSDCKASLQLPMEKAIETALDCLKSANTEPYYR
RQAWEVIKCFLVAMMSLEDNKHALYQLLAHPNFTEKTIPNVIISHRYKAQ
DTPARKTFEQALTGAFMSAVIKDLRPSALPFVASLIRHYTMVAVAQQCGP
FLLPCYQVGSQPSTAMFHSEENGSKGMDPLVLIDAIAICMAYEEKELCKI
GEVALAVIFDVASIILGSKERACQLPLFSYIVERLCACCYEQAWYAKLGG
VVSIKFLMERLPLTWVLQNQQTFLKALLFVMMDLTGEVSNGAVAMAKTTL
EQLLMRCATPLKDEERAEEIVAAQEKSFHHVTHDLVREVTSPNSTVRKQA
MHSLQVLAQVTGKSVTVIMEPHKEVLQDMVPPKKHLLRHQPANAQIGLME
GNTFCTTLQPRLFTMDLNVVEHKVFYTELLNLCEAEDSALTKLPCYKSLP
SLVPLRIAALNALAACNYLPQSREKIIAALFKALNSTNSELQEAGEACMR
KFLEGATIEVDQIHTHMRPLLMMLGDYRSLTLNVVNRLTSVTRLFPNSFN
DKFCDQMMQHLRKWMEVVVITHKGGQRSDGNEMKICSAIINLFHLIPAAP
QTLVKPLLEVVMKTERAMLIEAGSPFREPLIKFLTRHPSQTVELFMMEAT
LNDPQWSRMFMSFLKHKDARPLRDVLAANPNRFITLLLPGMRLDLQFQAI
KIISIIVKNDDSWLASQHSLVSQLRRVWVSENFQERHRKENMAATNWKEP
KLLAYCLLNYCKRNAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAAAAAAAAAGTSELVMLSLELVKTRLAVMSMEMRK
NFIQAILTSLIEKSPDAKILRAVVKIVEEWVKNNSPMAANQTPTLREKSI
LLVKMMTYIEKRFPEDLELNAQFLDLVNYVYRDETLSGSELTAKLEPAFL
SGLRCAQPLIRAKFFEVFDNSMKRRVYERLLYVTCSQNWEAMGNHFWIKQ
CIELLLAVCEKSTPIGTSCQGAMLPSITNVINLADSHDRAAFAMVGNQLH
MLTNRHDKFLDTLREVKTGALLSAFVQLCHISTTLAEKTWVQLFPRLWKI
LSDRQQHALAGEISPFLCSGSHQVQRDCQPSALNCFVEAMSQCVPPIPIR
PCVLKYLGKTHNLWFRSTLMLEHQAFEKGLSLQIKPKQTTEFYEQESITP
PQQEILDSLAELYSLLQEEDMWAGLWQKRCKYSETATAIAYEQHGFFEQA
QESYEKAMDKAKKEHERSNASPAIFPEYQLWEDHWIRCSKELNQWEALTE
YGQSKGHINPYLVLECAWRVSNWTAMKEALVQVEVSCPKEMAWKVNMYRG
YLAICHPEEQQLSFIERLVEMASSLAIREWRRLPHVVSHVHTPLLQAAQQ
IIELQEAAQINAGLQPTNLGRNNSLHDMKTVVKTWRNRLPIVSDDLSHWS
SIFMWRQHHYQAIVTAYENSSQHDPSSNNAMLGVHASASAIIQYGKIARK
QGLVNVALDILSRIHTIPTVPIVDCFQKIRQQVKCYLQLAGVMGKNECMQ
GLEVIESTNLKYFTKEMTAEFYALKGMFLAQINKSEEANKAFSAAVQMHD
VLVKAWAMWGDYLENIFVKERQLHLGVSAITCYLHACRHQNESKSRKYLA
KVLWLLSFDDDKNTLADAVDKYCIGVPPIQWLAWIPQLLTCLVGSEGKLL
LNLISQVGRVYPQAVYFPIRTLYLTLKIEQRERYKPIRATAPMWRCSRIM
HMQRELHPTLLSSLEGIVDQMVWFRENWHEEVLRQLQQGLAKCYSVAFEK
SGAVSDAKITPHTLNFVKKLVSTFGVGLENFSSAASESLARRAQATAQDP
VFQKLKGQFTTDFDFSVPGSMKLHNLISKLKKWIKILEAKTKQLPKFFLI
EEKCRFLSNFSAQTAEVEIPGEFLMPKPTHYYIKIARFMPRVEIVQKHNT
AARRLYIRGHNGKIYPYLVMNDACLTESRREERVLQLLRLLNPCLEKRKE
TTKRHLFFTVPRVVAVSPQMRLVEDNPSSLSLVEIYKQRCAKKGIEHDNP
ISRYYDRLATVQARGTQASHQVLRDILKEVQSNMVPRSMLKEWALHTFPN
ATDYWTFRKMFTIQLALIGFAEFVLHLNRLNPEMLQIAQDTGKLNVAYFR
FDINDATGDLDANRPVPFRLTPNISEFLTTIGVSGPLTASMIAVARCFAQ
PNFKVDGILKTVLRDEIIAWHKKTQEDTSGQPENMDSQQLVSLVQKAVTA
IMTRLHNLAQFEGGESKVNTLVAAANSLDNLCRMDPAWHPWL

Ligand information

• Ligand ID: IHP
• InChI: InChI=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-
• InChIKey: IMQLKJBTEOYOSI-GPIVLXJGSA-N
• SMILES:
  CACTVS 3.385: O[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 3.385: O[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
• Formula: C6 H18 O24 P6
• Name: INOSITOL HEXAKISPHOSPHATE;
  MYO-INOSITOL HEXAKISPHOSPHATE;
  INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
• ChEMBL: CHEMBL1233511
• DrugBank: DB14981
• ZINC: ZINC000169289809
• PDB chain: 7ktr Chain A Residue 4001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ktr Structure of the human SAGA coactivator complex.
• Resolution: 2.93 Å
• Binding residue (original residue number in PDB): K3017 R3020 K3021 R3051 K3055 K3125 K3165 K3547
• Binding residue (residue number reindexed from 1): K2246 R2249 K2250 R2280 K2284 K2354 K2394 K2747
• Annotation score: 4

External links

• PDB: RCSB:7ktr, PDBe:7ktr, PDBj:7ktr
• PDBsum: 7ktr
• PubMed: 34811519
• UniProt: Q9Y4A5|TRRAP_HUMAN Transformation/transcription domain-associated protein (Gene Name=TRRAP)