3FCL
Complex of UNG2 and a fragment-based designed inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004844 | molecular_function | uracil DNA N-glycosylase activity |
| A | 0006281 | biological_process | DNA repair |
| A | 0006284 | biological_process | base-excision repair |
| A | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
| B | 0004844 | molecular_function | uracil DNA N-glycosylase activity |
| B | 0006281 | biological_process | DNA repair |
| B | 0006284 | biological_process | base-excision repair |
| B | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE 3FL A 1 |
| Chain | Residue |
| A | HOH20 |
| A | SER273 |
| A | HOH339 |
| A | HOH400 |
| B | GLU83 |
| B | PHE84 |
| B | PHE85 |
| B | LYS90 |
| B | HOH444 |
| A | GLY143 |
| A | GLN144 |
| A | ASP145 |
| A | TYR147 |
| A | CYS157 |
| A | PHE158 |
| A | ASN204 |
| A | SER270 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SCN A 2 |
| Chain | Residue |
| A | MET106 |
| A | VAL109 |
| A | ARG113 |
| A | VAL125 |
| B | ARG276 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SCN A 5 |
| Chain | Residue |
| A | TYR147 |
| A | PRO167 |
| A | SER169 |
| A | HOH397 |
| A | HOH427 |
| B | SCN8 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SCN A 6 |
| Chain | Residue |
| A | PRO168 |
| A | ASN172 |
| A | PRO271 |
| A | HOH336 |
| B | GLY98 |
| B | ILE103 |
| B | HOH449 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SCN A 7 |
| Chain | Residue |
| A | SER270 |
| A | HOH399 |
| B | SCN8 |
| B | LYS90 |
| B | PHE97 |
| site_id | AC6 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE 3FL B 2 |
| Chain | Residue |
| A | GLU83 |
| A | PHE84 |
| A | HOH367 |
| B | SCN4 |
| B | HOH47 |
| B | GLY143 |
| B | GLN144 |
| B | ASP145 |
| B | TYR147 |
| B | CYS157 |
| B | PHE158 |
| B | SER169 |
| B | ASN204 |
| B | HIS268 |
| B | SER270 |
| B | SER273 |
| B | HOH327 |
| B | HOH346 |
| B | HOH386 |
| B | HOH499 |
| B | HOH500 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SCN B 1 |
| Chain | Residue |
| B | MET106 |
| B | VAL109 |
| B | ARG113 |
| B | VAL125 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SCN B 3 |
| Chain | Residue |
| B | PHE184 |
| B | ILE299 |
| B | TRP301 |
| B | LYS302 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SCN B 4 |
| Chain | Residue |
| A | LYS90 |
| A | PHE97 |
| B | 3FL2 |
| B | SER270 |
| B | PRO271 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SCN B 8 |
| Chain | Residue |
| A | SCN5 |
| A | SCN7 |
| A | PRO168 |
| A | PRO271 |
| B | SER94 |
Functional Information from PROSITE/UniProt
| site_id | PS00130 |
| Number of Residues | 10 |
| Details | U_DNA_GLYCOSYLASE Uracil-DNA glycosylase signature. KVVIlGQDPY |
| Chain | Residue | Details |
| A | LYS138-TYR147 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_03166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"9724657","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SSP","evidenceCode":"ECO:0000312"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"8900285","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9724657","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SSP","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"4SKN","evidenceCode":"ECO:0000312"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"8900285","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4SKN","evidenceCode":"ECO:0000312"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eug |
| Chain | Residue | Details |
| A | ASP145 | |
| A | HIS268 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eug |
| Chain | Residue | Details |
| B | ASP145 | |
| B | HIS268 |
