6G3O
Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 1001 |
| Chain | Residue |
| A | ASP181 |
| A | HIS183 |
| A | ASP269 |
| A | EL81004 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue CA A 1002 |
| Chain | Residue |
| A | ASP179 |
| A | ASP181 |
| A | HIS183 |
| A | SER202 |
| A | PHE203 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue NA A 1003 |
| Chain | Residue |
| A | PHE192 |
| A | THR195 |
| A | VAL198 |
| A | TYR227 |
| A | HOH1111 |
| A | HOH1128 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | binding site for residue EL8 A 1004 |
| Chain | Residue |
| A | GLN31 |
| A | GLY32 |
| A | HIS33 |
| A | PRO34 |
| A | ASP104 |
| A | HIS145 |
| A | HIS146 |
| A | GLY154 |
| A | ASP181 |
| A | HIS183 |
| A | PHE210 |
| A | ASP269 |
| A | LEU276 |
| A | TYR308 |
| A | ZN1001 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1001 |
| Chain | Residue |
| B | ASP181 |
| B | HIS183 |
| B | ASP269 |
| B | EL81004 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 1002 |
| Chain | Residue |
| B | ASP179 |
| B | ASP181 |
| B | HIS183 |
| B | SER202 |
| B | PHE203 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue NA B 1003 |
| Chain | Residue |
| B | PHE192 |
| B | THR195 |
| B | VAL198 |
| B | TYR227 |
| B | HOH1123 |
| site_id | AC8 |
| Number of Residues | 16 |
| Details | binding site for residue EL8 B 1004 |
| Chain | Residue |
| B | GLN31 |
| B | GLY32 |
| B | HIS33 |
| B | PRO34 |
| B | ASP104 |
| B | HIS145 |
| B | HIS146 |
| B | GLY154 |
| B | PHE155 |
| B | ASP181 |
| B | HIS183 |
| B | ASP269 |
| B | LEU276 |
| B | TYR308 |
| B | ZN1001 |
| B | HOH1200 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue 1PE B 1005 |
| Chain | Residue |
| B | LYS284 |
| B | HIS349 |
| C | GLU67 |
| C | THR70 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 1006 |
| Chain | Residue |
| B | ASP135 |
| B | MET136 |
| B | LYS294 |
| B | ASN297 |
| B | LEU298 |
| B | HOH1128 |
| B | HOH1131 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue PG4 B 1007 |
| Chain | Residue |
| A | GLN133 |
| B | ASP23 |
| B | ASN26 |
| B | TYR27 |
| B | ASP109 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 1001 |
| Chain | Residue |
| C | ASP181 |
| C | HIS183 |
| C | ASP269 |
| C | EL81004 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue CA C 1002 |
| Chain | Residue |
| C | ASP179 |
| C | ASP181 |
| C | HIS183 |
| C | SER202 |
| C | PHE203 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue NA C 1003 |
| Chain | Residue |
| C | PHE192 |
| C | THR195 |
| C | VAL198 |
| C | HOH1115 |
| C | HOH1131 |
| site_id | AD6 |
| Number of Residues | 17 |
| Details | binding site for residue EL8 C 1004 |
| Chain | Residue |
| C | ASP181 |
| C | HIS183 |
| C | PHE210 |
| C | ASP269 |
| C | LEU276 |
| C | TYR308 |
| C | MET377 |
| C | ZN1001 |
| C | GLN31 |
| C | GLY32 |
| C | HIS33 |
| C | PRO34 |
| C | ASP104 |
| C | HIS145 |
| C | HIS146 |
| C | GLY154 |
| C | PHE155 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 1005 |
| Chain | Residue |
| C | GLU189 |
| C | TYR193 |
| C | HOH1160 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 313 |
| Details | Region: {"description":"Histone deacetylase"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Active site: {"evidences":[{"source":"UniProtKB","id":"Q13547","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 9 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"O15379","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 27 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"37137925","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"8BPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8BPB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8BPC","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"37137925","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"8BPB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8BPC","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q13547","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q13547","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 6 |
| Details | Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"P70288","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 6 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
