4EUU
Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE BX7 A 401 |
| Chain | Residue |
| A | LEU15 |
| A | CYS89 |
| A | GLY92 |
| A | GLY139 |
| A | MET142 |
| A | THR156 |
| A | IOD402 |
| A | HOH522 |
| A | HOH557 |
| A | HOH650 |
| B | ILE14 |
| A | GLN17 |
| B | GLN17 |
| B | ASN22 |
| B | HOH523 |
| A | GLY18 |
| A | ALA21 |
| A | ALA36 |
| A | LYS38 |
| A | MET86 |
| A | GLU87 |
| A | PHE88 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IOD A 402 |
| Chain | Residue |
| A | THR156 |
| A | ASP157 |
| A | BX7401 |
| A | HOH690 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 403 |
| Chain | Residue |
| A | ARG187 |
| A | ARG191 |
| A | HOH685 |
| B | ASN230 |
| B | LYS231 |
| B | GLU232 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 404 |
| Chain | Residue |
| A | ARG127 |
| A | GLY294 |
| A | PHE295 |
| A | ASP296 |
| A | HOH580 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 405 |
| Chain | Residue |
| A | VAL97 |
| A | GLU100 |
| A | ASN103 |
| A | PRO108 |
| A | GLU111 |
| A | HOH655 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 406 |
| Chain | Residue |
| A | ASP33 |
| A | LEU34 |
| A | GLU87 |
| A | PHE88 |
| A | HOH544 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 407 |
| Chain | Residue |
| A | ARG271 |
| A | HOH676 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE BX7 B 401 |
| Chain | Residue |
| A | ILE14 |
| A | GLN17 |
| A | ASN22 |
| A | HOH539 |
| B | LEU15 |
| B | GLN17 |
| B | GLY18 |
| B | ALA21 |
| B | VAL23 |
| B | ALA36 |
| B | LYS38 |
| B | MET86 |
| B | GLU87 |
| B | PHE88 |
| B | CYS89 |
| B | GLY92 |
| B | GLY139 |
| B | MET142 |
| B | THR156 |
| B | IOD402 |
| B | GOL406 |
| B | HOH567 |
| B | HOH672 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IOD B 402 |
| Chain | Residue |
| B | MET86 |
| B | THR156 |
| B | ASP157 |
| B | BX7401 |
| B | HOH519 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 403 |
| Chain | Residue |
| A | ASN230 |
| A | LYS231 |
| A | GLU232 |
| B | ARG187 |
| B | ARG191 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 404 |
| Chain | Residue |
| A | HOH706 |
| B | ASP166 |
| B | GLY294 |
| B | PHE295 |
| B | ASP296 |
| B | HOH596 |
| B | HOH673 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 405 |
| Chain | Residue |
| B | ASP33 |
| B | LEU34 |
| B | PHE35 |
| B | GLU87 |
| B | PHE88 |
| B | HOH615 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 406 |
| Chain | Residue |
| A | HOH564 |
| B | PRO90 |
| B | CYS91 |
| B | GLY92 |
| B | THR96 |
| B | BX7401 |
| B | HOH672 |
| A | GLY0 |
| A | LEU11 |
| A | HOH539 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 407 |
| Chain | Residue |
| B | HIS64 |
| B | GLY121 |
| B | HOH564 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGQGATANVFrGrhkktgdl..........FAIK |
| Chain | Residue | Details |
| A | LEU15-LYS38 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"23453971","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"23453972","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"30842653","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine; by autocatalysis and IKKB","evidences":[{"source":"PubMed","id":"11839743","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22851595","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23746807","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"23453971","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
