6H0W
Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 401 |
| Chain | Residue |
| A | CYS238 |
| A | HIS244 |
| A | CYS310 |
| A | CYS312 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue NA A 402 |
| Chain | Residue |
| A | HOH833 |
| A | ASN17 |
| A | ASN262 |
| A | HOH616 |
| A | HOH679 |
| A | HOH833 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | ARG123 |
| A | LYS124 |
| A | LYS127 |
| A | ASN128 |
| A | HOH799 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | LYS150 |
| A | GLN151 |
| A | TRP152 |
| A | ASN153 |
| A | HIS156 |
| A | HOH688 |
| A | HOH705 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | THR252 |
| A | LYS255 |
| A | ARG263 |
| A | EDO408 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | LYS109 |
| A | GLN111 |
| A | ASN132 |
| A | TRP185 |
| A | LYS186 |
| A | HOH520 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | SER80 |
| A | THR87 |
| A | PHE231 |
| A | LYS305 |
| A | HOH512 |
| A | HOH538 |
| A | HOH897 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | GLU122 |
| A | ARG123 |
| A | TRP126 |
| A | EDO405 |
| A | HOH630 |
| A | HOH639 |
| A | HOH672 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 409 |
| Chain | Residue |
| A | PHE118 |
| A | GLU119 |
| A | GLU122 |
| A | ARG263 |
| A | ILE264 |
| A | THR265 |
| A | HOH503 |
| A | HOH634 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | GLU27 |
| A | TYR37 |
| A | HOH684 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 411 |
| Chain | Residue |
| A | TYR181 |
| A | GLU194 |
| A | SER200 |
| A | ILE293 |
| A | ASN294 |
| A | FHW415 |
| A | I1L417 |
| A | HOH813 |
| site_id | AD3 |
| Number of Residues | 10 |
| Details | binding site for residue SO4 A 412 |
| Chain | Residue |
| A | ARG60 |
| A | GLU61 |
| A | THR62 |
| A | ASP64 |
| A | ASN65 |
| A | HOH526 |
| A | HOH532 |
| A | HOH571 |
| A | HOH809 |
| A | HOH820 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue NI A 413 |
| Chain | Residue |
| A | HIS192 |
| A | GLU194 |
| A | HIS280 |
| A | FHW415 |
| A | I1L417 |
| A | HOH648 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 414 |
| Chain | Residue |
| A | ASN128 |
| A | LYS186 |
| site_id | AD6 |
| Number of Residues | 17 |
| Details | binding site for residue FHW A 415 |
| Chain | Residue |
| A | HOH813 |
| A | TYR136 |
| A | TYR181 |
| A | PHE189 |
| A | HIS192 |
| A | GLU194 |
| A | ASN202 |
| A | TRP212 |
| A | LYS245 |
| A | HIS280 |
| A | EDO411 |
| A | NI413 |
| A | I1L417 |
| A | HOH622 |
| A | HOH648 |
| A | HOH711 |
| A | HOH782 |
| site_id | AD7 |
| Number of Residues | 19 |
| Details | binding site for residue EPE A 416 |
| Chain | Residue |
| A | MET19 |
| A | ILE20 |
| A | PHE21 |
| A | TYR37 |
| A | GLN41 |
| A | LYS255 |
| A | GLU256 |
| A | HOH513 |
| A | HOH534 |
| A | HOH574 |
| A | HOH687 |
| A | HOH706 |
| A | HOH718 |
| A | HOH859 |
| A | HOH887 |
| A | HOH938 |
| A | HOH939 |
| A | HOH957 |
| A | HOH958 |
| site_id | AD8 |
| Number of Residues | 17 |
| Details | binding site for residue I1L A 417 |
| Chain | Residue |
| A | TYR136 |
| A | TYR181 |
| A | PHE189 |
| A | HIS192 |
| A | GLU194 |
| A | SER200 |
| A | ASN202 |
| A | LYS210 |
| A | TRP212 |
| A | HIS280 |
| A | EDO411 |
| A | NI413 |
| A | FHW415 |
| A | HOH518 |
| A | HOH648 |
| A | HOH813 |
| A | HOH853 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 42 |
| Details | Domain: {"description":"JmjN","evidences":[{"source":"PROSITE-ProRule","id":"PRU00537","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 166 |
| Details | Domain: {"description":"JmjC","evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"B2RXH2","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"26741168","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PDB","id":"5F5A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F5C","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"PolyADP-ribosyl glutamic acid","evidences":[{"source":"PubMed","id":"23102699","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
