Structure of PDB 6kwy Chain c Binding Site BS02

Receptor Information
>6kwy Chain c (length=1811) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGFVPQKEIVYNKLLPYAERLDAESDLQLAQIKCNLGRAVQLQELWPGGL
FWTRKLSTYIRLYGRKFSKEDHVLFIKLLYELVSIPKLEISMMQGFARLL
INLLKKKELLSRADLELPWRPLYDMVERILYSKTEHLGLNWFPNSVENIL
KTLVKSCRPYFPADATAEMLEEWRPLMCPFDVTMQKAITYFEIFLPTSLP
PELHHKGFKLWFDELIGLWVSVQNLPQWEGQLVNLFARLATDNIGYIDWD
PYVPKIFTRILRSLNLPVGSSQVLVPRFLTNAYDIGHAVIWITAMMGGPS
KLVQKHLAGLFNSITSFYHPSNNGRWLNKLMKLLQRLPNSVVRRLHRERY
KKPSWLTPVPDSHKLTDQDVTDFVQCIIQPVLLAMFSKTGSLEAAQALQN
LALMRPELVIPPVLERTYPALETLTEPHQLTATLSCVIGVARSLVSGGRW
FPEGPTHMLPLLMRALPGVDPNDFSKCMITFQFIATFSTLVPLVDCSSVL
QERNDLTEVERELCSATAEFEDFVLQFMDRCFGLIESSTLEQTREETETE
KMTHLESLVELGLSSTFSTILTQCSKEIFMVALQKVFNFSTSHIFETRVA
GRMVADMCRAAVKCCPEESLKLFVPHCCSVITQLTMNDDVLNDEELDKEL
LWNLQLLSEITRVDGRKLLLYREQLVKILQRTLHLTCKQGYTLSCNLLHH
LLRSTTLIYPTEYCSVPGGFDKPPSEYFPIKDWGKPGDLWNLGIQWHVPS
SEEVSFAFYLLDSFLQPELVKLQHCGDGKLEMSRDDILQSLTIVHNCILG
SGNLLPPLKGEPVTNLVPSMVSLEETKLYTGLEYDLSRENHREVIATVIR
KLLNHILDNSEDDTKSLFLIIKIIGDLLQFQGSHKHEFDSRWKSFNLVKK
SMENRLHGKKQHIRALLIDRVMLQHELRTLTVEGCEYKKIHQDMIRDLLR
LSTSSYSQVRNKAQQTFFAALGAYNFCCRDIIPLVLEFLRPDRQGVTQQQ
FKGALYCLLGNHSGVCLANLHDWDCIVQTWPAIVSSGLSQAMSLEKPSIV
RLFDDLAEKIHRQYETIGLDFTIPKSCVEIAELLQQSKNPSINQILLSPE
KIKEGIKRQQEKNADALRNYENLVDTLLDGVEQRNLPWKFEHIGIGLLSL
LLRDDRVLPLRAIRFFVENLNHDAIVVRKMAISAVAGILKQLKRTHKKLT
INPCEISGCPKPTQIIAGDRPDNHWLHYDSKTIPRTKKEWESSCFVEKTH
WGYYTWPKNMVVYAGVEEQPKLGRSREDMTEAEQIIFDHFSDPKFVEQLI
TFLSLEDRKGKDKFNPRRFCLFKGIFRNFDDAFLPVLKPHLEHLVADSHE
STQRCVAEIIAGLIRGSKHWTFEKVEKLWELLCPLLRTALSNITVETYND
WGACIATSCESRDPRKLHWLFELLLESPLSGEGGSFVDACRLYVLQGGLA
QQEWRVPELLHRLLKYLEPKLTQVYKNVRERIGSVLTYIFMIDVSLPNTT
PTISPHVPEFTARILEKLKPLMDVDEEIQNHVDERTQGIKLLKTILKWLM
ASAGRSFSTAVTEQLQLLPLFFKIAPVENDNSYDELKRDAKLCLSLMSQG
LLYPHQVPLVLQVLKQTARSSSWHARYTVLTYLQTMVFYNLFIFLNNEDA
VKDIRWLVISLLEDEQLEVREMAATTLSGLLQCNFLTMDSPMQIHFEQLC
KTKLPKKRKRDPGSVGDTIPSAELVKRHAGVLGLGACVLSSPYDVPTWMP
QLLMNLSAHLNDPQPIEMTVKKTLSNFRRTHHDNWQEHKQQFTDDQLLVL
TDLLVSPCYYA
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 chain6kwy Chain c Residue 1902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6kwy Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		K156 K1213 K1216 H1219 K1271 Y1286 K1346 R1350 R1388 K1391 H1392 R1435
Binding residue
(residue number reindexed from 1)		K133 K1190 K1193 H1196 K1248 Y1263 K1323 R1327 R1365 K1368 H1369 R1412
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:6kwy, PDBe:6kwy, PDBj:6kwy
PDBsum6kwy
PubMed32134919
UniProtQ14997|PSME4_HUMAN Proteasome activator complex subunit 4 (Gene Name=PSME4)

[Back to BioLiP]