Structure of PDB 6rey Chain d Binding Site BS01

Receptor Information
>6rey Chain d (length=1773) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVPQKEIVYNKLLPYAERLDAESDLQLAQIKCNLGRAVQLQELWPGGLFW
TRKLSTYIRLYGRKFSKEDHVLFIKLLYELVSIPKLEISMMQGFARLLIN
LLKKKELLSRADLELPWRPLYDMVERILYSKTEHLGLNWFPNSVENILKT
LVKSCRPYFPADATAEMLEEWRPLMCPFDVTMQKAITYFEIFLPTSLPPE
LHHKGFKLWFDELIGLWVSVQNLPQWEGQLVNLFARLATDNIGYIDWDPY
VPKIFTRILRSLNLPVGSSQVLVPRFLTNAYDIGHAVIWITAMMGGPSKL
VQKHLAGLFNSITSFYHPSNNGRWLNKLMKLLQRLPNSVVRRLHRERYKK
PSWLTPVPDSHKLTDQDVTDFVQCIIQPVLLAMFSKTGSLEAAQALQNLA
LMRPELVIPPVLERTYPALETLTEPHQLTATLSCVIGVARSLVSGGRWFP
EGPTHMLPLLMRALPGVDPNDFSKCMITFQFIATFSTLVPLVDCSSVLQE
RNDLTEVERELCSATAEFEDFVLQFMDRCFGLIESSTLEQTREETETEKM
THLESLVELGLSSTFSTILTQCSKEIFMVALQKVFNFSTSHIFETRVAGR
MVADMCRAAVKCCPEESLKLFVPHCCSVITQLTMNDDVLNDEELDKELLW
NLQLLSEITRVDGRKLLLYREQLVKILQRTLHLTCKQGYTLSCNLLHHLL
RSTTLIYPTEYCSVPGGFDKPPSEYFPIKDWGKPGDLWNLGIQWHVPSSE
EVSFAFYLLDSFLQPELVKLQHCGDGKLEMSRDDILQSLTIVHNCLIGSG
NLLPPLKGEPVTNLVPSMVSLEETKLYTGLEYDLSRENHREVIATVIRKL
LNHILDNSEDDTKSLFLIIKIIGDLLQFQGSHKHEFDSRWKSFNLVKKSM
ENRLHGKKQHIRALLIDRVMLQHELRTLTVEGCEYKKIHQDMIRDLLRLS
TSSYSQVRNKAQQTFFAALGAYNFCCRDIIPLVLEFLRPDRQGVTQQQFK
GALYCLLGNHSGVCLANLHDWDCIVQTWPAIVSSGLSQAMSLEKPSIVRL
FDDLAEKIHRQYETIGLDFTIPKSCVEIAELLQQSKNPSINQILLSPEKI
KEGIKRQQEKNADALRNYENLVDTLLDGVEQRNLPWKFEHIGIGLLSLLL
RDDRVLPLRAIRFFVENLNHDAIVVRKMAISAVAGILKQLKRTHKKLTIN
PCEISGCPDRPDNHWLHYDSKTIPRTKKEWESSCFVEKTHWGYYTWPKNM
VVYAGVEEQPKLGRSREDMTEAEQIIFDHFSDPKFVEQLITFLSLEDRKG
KDKFNPRRFCLFKGIFRNFDDAFLPVLKPHLEHLVADSHESTQRCVAEII
AGLIRGSKHWTFEKVEKLWELLCPLLRTALSNITVETYNDWGACIATSCE
SRDPRKLHWLFELLLESPLSGEGGSFVDACRLYVLQGGLAQQEWRVPELL
HRLLKYLEPKLTQVYKNVRERIGSVLTYIFMIDVSLPNTTPTISPHVPEF
TARILEKLKPLMTQGIKLLKTILKWLMASAGRSFSTAVTEQLQLLPLFFK
IAPVENDNSYDELKRDAKLCLSLMSQGLLYPHQVPLVLQVLKQTARSSSW
HARYTVLTYLQTMVFYNLFIFLNNEDAVKDIRWLVISLLEDEQLEVREMA
ATTLSGLLQCNFLTMDSPMQIHFEQLCKTKLPKAELVKRHAGVLGLGACV
LSSPYDVPTWMPQLLMNLSAHLNDPQPIEMTVKKTLSNFRRTHHDNWQEH
KQQFTDDQLLVLTDLLVSPCYYA
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 chain6rey Chain d Residue 1901 [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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PDB6rey Characterization of Fully Recombinant Human 20S and 20S-PA200 Proteasome Complexes.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K156 K1216 K1271 Y1286 K1346 R1350 R1388 S1434 R1435
Binding residue
(residue number reindexed from 1)		K131 K1191 K1238 Y1253 K1313 R1317 R1355 S1401 R1402
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016504 peptidase activator activity
GO:0070577 lysine-acetylated histone binding
GO:0070628 proteasome binding
Biological Process
GO:0006281 DNA repair
GO:0006974 DNA damage response
GO:0007283 spermatogenesis
GO:0010499 proteasomal ubiquitin-independent protein catabolic process
GO:0030154 cell differentiation
GO:0035092 sperm DNA condensation
Cellular Component
GO:0000502 proteasome complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016607 nuclear speck
GO:1990111 spermatoproteasome complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rey, PDBe:6rey, PDBj:6rey
PDBsum6rey
PubMed31473102
UniProtQ14997|PSME4_HUMAN Proteasome activator complex subunit 4 (Gene Name=PSME4)

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