6UJH
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| A | 0000123 | cellular_component | histone acetyltransferase complex |
| A | 0001501 | biological_process | skeletal system development |
| A | 0005515 | molecular_function | protein binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0006094 | biological_process | gluconeogenesis |
| A | 0006325 | biological_process | chromatin organization |
| A | 0006355 | biological_process | regulation of DNA-templated transcription |
| A | 0006357 | biological_process | regulation of transcription by RNA polymerase II |
| A | 0035097 | cellular_component | histone methyltransferase complex |
| A | 0042393 | molecular_function | histone binding |
| A | 0042800 | molecular_function | histone H3K4 methyltransferase activity |
| A | 0044545 | cellular_component | NSL complex |
| A | 0044665 | cellular_component | MLL1/2 complex |
| A | 0044666 | cellular_component | MLL3/4 complex |
| A | 0045722 | biological_process | positive regulation of gluconeogenesis |
| A | 0045815 | biological_process | transcription initiation-coupled chromatin remodeling |
| A | 0045893 | biological_process | positive regulation of DNA-templated transcription |
| A | 0045995 | biological_process | regulation of embryonic development |
| A | 0048188 | cellular_component | Set1C/COMPASS complex |
| A | 0051302 | biological_process | regulation of cell division |
| A | 0051726 | biological_process | regulation of cell cycle |
| A | 0071339 | cellular_component | MLL1 complex |
| A | 0072686 | cellular_component | mitotic spindle |
| A | 0097228 | cellular_component | sperm principal piece |
| A | 0140004 | molecular_function | histone H3Q5ser reader activity |
| A | 0140109 | molecular_function | histone H3K4me1 reader activity |
| A | 0140672 | cellular_component | ATAC complex |
| B | 0000122 | biological_process | negative regulation of transcription by RNA polymerase II |
| B | 0000123 | cellular_component | histone acetyltransferase complex |
| B | 0001501 | biological_process | skeletal system development |
| B | 0005515 | molecular_function | protein binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0006094 | biological_process | gluconeogenesis |
| B | 0006325 | biological_process | chromatin organization |
| B | 0006355 | biological_process | regulation of DNA-templated transcription |
| B | 0006357 | biological_process | regulation of transcription by RNA polymerase II |
| B | 0035097 | cellular_component | histone methyltransferase complex |
| B | 0042393 | molecular_function | histone binding |
| B | 0042800 | molecular_function | histone H3K4 methyltransferase activity |
| B | 0044545 | cellular_component | NSL complex |
| B | 0044665 | cellular_component | MLL1/2 complex |
| B | 0044666 | cellular_component | MLL3/4 complex |
| B | 0045722 | biological_process | positive regulation of gluconeogenesis |
| B | 0045815 | biological_process | transcription initiation-coupled chromatin remodeling |
| B | 0045893 | biological_process | positive regulation of DNA-templated transcription |
| B | 0045995 | biological_process | regulation of embryonic development |
| B | 0048188 | cellular_component | Set1C/COMPASS complex |
| B | 0051302 | biological_process | regulation of cell division |
| B | 0051726 | biological_process | regulation of cell cycle |
| B | 0071339 | cellular_component | MLL1 complex |
| B | 0072686 | cellular_component | mitotic spindle |
| B | 0097228 | cellular_component | sperm principal piece |
| B | 0140004 | molecular_function | histone H3Q5ser reader activity |
| B | 0140109 | molecular_function | histone H3K4me1 reader activity |
| B | 0140672 | cellular_component | ATAC complex |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue QBS A 401 |
| Chain | Residue |
| A | PRO224 |
| A | ASN225 |
| A | VAL268 |
| A | LYS272 |
| A | HOH530 |
| A | HOH701 |
| B | TYR75 |
| B | ASP76 |
| B | LYS331 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue SO4 A 402 |
| Chain | Residue |
| A | LYS123 |
| A | THR124 |
| A | LYS256 |
| A | HOH519 |
| A | HOH529 |
| A | HOH544 |
| A | HOH630 |
| A | HOH664 |
| A | HOH706 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue SO4 A 403 |
| Chain | Residue |
| A | LYS221 |
| A | ASN265 |
| A | ALA308 |
| A | CYS309 |
| A | HOH514 |
| A | HOH567 |
| A | HOH579 |
| A | HOH648 |
| A | HOH689 |
| A | HOH696 |
| A | HOH724 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue QBS B 401 |
| Chain | Residue |
| A | TYR75 |
| A | ASP76 |
| A | LYS331 |
| B | PRO224 |
| B | ASN225 |
| B | TYR228 |
| B | VAL268 |
| B | LYS272 |
| B | HOH626 |
| B | HOH698 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | binding site for residue SO4 B 402 |
| Chain | Residue |
| B | LYS221 |
| B | ASN265 |
| B | ALA308 |
| B | CYS309 |
| B | HOH505 |
| B | HOH538 |
| B | HOH558 |
| B | HOH621 |
| B | HOH641 |
| B | HOH681 |
| B | HOH682 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS B 403 |
| Chain | Residue |
| B | CYS248 |
| B | LEU249 |
| B | LYS250 |
| B | THR251 |
| B | HOH552 |
| B | HOH622 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 404 |
| Chain | Residue |
| B | TRP95 |
| B | SER97 |
| B | PHE137 |
| B | ASN138 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue DMS B 405 |
| Chain | Residue |
| B | TYR228 |
| B | GLN289 |
Functional Information from PROSITE/UniProt
| site_id | PS00678 |
| Number of Residues | 15 |
| Details | WD_REPEATS_1 Trp-Asp (WD) repeats signature. LVSAsdDkTLKIWDV |
| Chain | Residue | Details |
| A | LEU102-VAL116 | |
| A | ILE144-VAL158 | |
| A | ILE186-THR200 | |
| A | ILE274-LEU288 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 78 |
| Details | Repeat: {"description":"WD 1"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 82 |
| Details | Repeat: {"description":"WD 2"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 80 |
| Details | Repeat: {"description":"WD 3"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 78 |
| Details | Repeat: {"description":"WD 4"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 82 |
| Details | Repeat: {"description":"WD 5"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 80 |
| Details | Repeat: {"description":"WD 6"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 68 |
| Details | Repeat: {"description":"WD 7"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 8 |
| Details | Site: {"description":"Important for interaction with histone H3"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 6 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
