5EAL
Crystal structure of human WDR5 in complex with compound 9h
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 | 0035064 | molecular_function | methylated histone binding |
| 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 | 0090043 | biological_process | regulation of tubulin deacetylation |
| 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 | 0035064 | molecular_function | methylated histone binding |
| 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 | 0090043 | biological_process | regulation of tubulin deacetylation |
| B | 0140672 | cellular_component | ATAC complex |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue 5ML A 401 |
| Chain | Residue |
| A | SER49 |
| A | TYR191 |
| A | CYS261 |
| A | ILE305 |
| A | EDO404 |
| A | HOH516 |
| A | SER50 |
| A | ALA65 |
| A | ILE90 |
| A | SER91 |
| A | ASP92 |
| A | PHE133 |
| A | PHE149 |
| A | SER175 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue GOL A 402 |
| Chain | Residue |
| A | PRO139 |
| A | GLN140 |
| A | HOH503 |
| B | LYS38 |
| B | PHE39 |
| B | ALA74 |
| B | TYR75 |
| B | ILE315 |
| B | LEU329 |
| B | LYS331 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 403 |
| Chain | Residue |
| A | LYS221 |
| A | HOH575 |
| A | HOH691 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | TYR191 |
| A | LYS259 |
| A | TYR260 |
| A | CYS261 |
| A | 5ML401 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | TYR260 |
| A | ASP302 |
| A | HOH502 |
| A | HOH536 |
| B | SER129 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | VAL31 |
| A | GLY271 |
| A | LYS272 |
| A | TRP273 |
| A | ASN287 |
| A | HOH529 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | PHE39 |
| A | ALA74 |
| A | TYR75 |
| A | LEU329 |
| A | HOH531 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | THR40 |
| A | LEU206 |
| A | GLY299 |
| A | THR301 |
| A | ASP324 |
| A | THR326 |
| A | LYS328 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 409 |
| Chain | Residue |
| A | PRO55 |
| A | TRP95 |
| A | SER97 |
| A | PHE137 |
| A | ASN138 |
| A | PRO139 |
| A | SER141 |
| A | HOH527 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | PRO168 |
| A | CYS205 |
| A | HOH653 |
| A | HOH659 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 411 |
| Chain | Residue |
| A | TYR228 |
| A | LEU249 |
| A | LYS250 |
| A | GLN289 |
| A | HOH532 |
| site_id | AD3 |
| Number of Residues | 17 |
| Details | binding site for residue 5ML B 401 |
| Chain | Residue |
| B | SER49 |
| B | SER50 |
| B | ALA65 |
| B | ILE90 |
| B | SER91 |
| B | ASP92 |
| B | PHE133 |
| B | PHE149 |
| B | SER175 |
| B | TYR191 |
| B | CYS261 |
| B | ILE305 |
| B | EDO404 |
| B | EDO406 |
| B | HOH518 |
| B | HOH559 |
| B | HOH654 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 402 |
| Chain | Residue |
| B | TYR228 |
| B | LYS250 |
| B | GLN289 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| B | LYS165 |
| B | THR200 |
| B | ALA201 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | 5ML401 |
| B | HOH518 |
| B | TYR191 |
| B | LYS259 |
| B | TYR260 |
| B | CYS261 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | TRP59 |
| B | GLU80 |
| B | LYS81 |
| B | VAL116 |
| B | HOH571 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | ASP107 |
| B | PHE133 |
| B | 5ML401 |
| B | HOH504 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | LYS123 |
| B | VAL158 |
| B | LYS159 |
| B | HOH620 |
| site_id | AE1 |
| Number of Residues | 9 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| B | THR40 |
| B | ASP199 |
| B | SER202 |
| B | GLN204 |
| B | LEU206 |
| B | THR301 |
| B | ASP324 |
| B | THR326 |
| B | LYS328 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 409 |
| Chain | Residue |
| B | TRP95 |
| B | SER97 |
| B | PHE137 |
| B | ASN138 |
| B | HOH553 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 410 |
| Chain | Residue |
| B | TYR260 |
| B | ASP302 |
| B | LEU321 |
| B | GLU322 |
| B | HOH573 |
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 | 8 |
| Details | SITE: Important for interaction with histone H3 |
| Chain | Residue | Details |
| A | ASP107 | |
| A | PHE133 | |
| A | PHE263 | |
| A | GLU322 | |
| B | ASP107 | |
| B | PHE133 | |
| B | PHE263 | |
| B | GLU322 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS112 | |
| B | LYS112 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| B | LYS46 | |
| A | LYS27 | |
| A | LYS46 | |
| B | LYS27 |
