5FPV
Crystal structure of human JMJD2A in complex with compound KDOAM20A
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN A 1357 |
| Chain | Residue |
| A | HIS189 |
| A | GLU191 |
| A | HIS277 |
| A | MMK1358 |
| A | HOH2094 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MMK A 1358 |
| Chain | Residue |
| A | PHE186 |
| A | HIS189 |
| A | GLU191 |
| A | LYS207 |
| A | TRP209 |
| A | LYS242 |
| A | HIS277 |
| A | SER289 |
| A | THR290 |
| A | ASN291 |
| A | MN1357 |
| A | HOH2094 |
| A | TYR133 |
| A | ASP136 |
| A | TYR176 |
| A | TYR178 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1359 |
| Chain | Residue |
| A | CYS235 |
| A | HIS241 |
| A | CYS307 |
| A | CYS309 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI A 1360 |
| Chain | Residue |
| A | GLY230 |
| H | LYS106 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI A 1361 |
| Chain | Residue |
| A | LYS91 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN B 1357 |
| Chain | Residue |
| B | HIS189 |
| B | GLU191 |
| B | HIS277 |
| B | MMK1358 |
| B | HOH2095 |
| site_id | AC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MMK B 1358 |
| Chain | Residue |
| B | TYR133 |
| B | TYR176 |
| B | TYR178 |
| B | PHE186 |
| B | HIS189 |
| B | GLU191 |
| B | ASP192 |
| B | LYS207 |
| B | TRP209 |
| B | LYS242 |
| B | HIS277 |
| B | SER289 |
| B | THR290 |
| B | ASN291 |
| B | MN1357 |
| B | HOH2095 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1359 |
| Chain | Residue |
| B | CYS235 |
| B | HIS241 |
| B | CYS307 |
| B | CYS309 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI B 1360 |
| Chain | Residue |
| B | GLY230 |
| B | SER231 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN C 1357 |
| Chain | Residue |
| C | HIS189 |
| C | GLU191 |
| C | HIS277 |
| C | MMK1358 |
| C | HOH2103 |
| site_id | BC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE MMK C 1358 |
| Chain | Residue |
| C | TYR133 |
| C | ASP136 |
| C | TYR178 |
| C | PHE186 |
| C | HIS189 |
| C | GLU191 |
| C | ASP192 |
| C | LYS207 |
| C | TRP209 |
| C | LYS242 |
| C | HIS277 |
| C | SER289 |
| C | THR290 |
| C | ASN291 |
| C | MN1357 |
| C | HOH2076 |
| C | HOH2103 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 1359 |
| Chain | Residue |
| C | CYS235 |
| C | HIS241 |
| C | CYS307 |
| C | CYS309 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI C 1360 |
| Chain | Residue |
| C | ARG96 |
| H | ASP147 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN D 1357 |
| Chain | Residue |
| D | HIS189 |
| D | GLU191 |
| D | HIS277 |
| D | MMK1358 |
| D | HOH2089 |
| site_id | BC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE MMK D 1358 |
| Chain | Residue |
| D | MN1357 |
| D | HOH2068 |
| D | HOH2089 |
| D | TYR133 |
| D | TYR176 |
| D | TYR178 |
| D | PHE186 |
| D | HIS189 |
| D | GLU191 |
| D | LYS207 |
| D | TRP209 |
| D | LYS242 |
| D | HIS277 |
| D | SER289 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 1359 |
| Chain | Residue |
| D | CYS235 |
| D | HIS241 |
| D | CYS307 |
| D | CYS309 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI D 1360 |
| Chain | Residue |
| D | GLY230 |
| E | LYS106 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN E 1357 |
| Chain | Residue |
| E | HIS189 |
| E | GLU191 |
| E | HIS277 |
| E | MMK1358 |
| E | HOH2057 |
| site_id | CC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE MMK E 1358 |
| Chain | Residue |
| E | TYR133 |
| E | ASP136 |
| E | TYR178 |
| E | PHE186 |
| E | HIS189 |
| E | GLU191 |
| E | LYS207 |
| E | TRP209 |
| E | LYS242 |
| E | HIS277 |
| E | THR290 |
| E | ASN291 |
| E | MN1357 |
| E | HOH2047 |
| E | HOH2057 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN E 1359 |
| Chain | Residue |
| E | CYS235 |
| E | HIS241 |
| E | CYS307 |
| E | CYS309 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN F 1357 |
| Chain | Residue |
| F | HIS189 |
| F | GLU191 |
| F | HIS277 |
| F | MMK1358 |
| F | HOH2049 |
| site_id | CC4 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MMK F 1358 |
| Chain | Residue |
| F | TYR133 |
| F | ASP136 |
| F | TYR176 |
| F | TYR178 |
| F | PHE186 |
| F | HIS189 |
| F | GLU191 |
| F | LYS207 |
| F | TRP209 |
| F | LYS242 |
| F | HIS277 |
| F | SER289 |
| F | THR290 |
| F | ASN291 |
| F | MN1357 |
| F | HOH2049 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN F 1359 |
| Chain | Residue |
| F | CYS235 |
| F | HIS241 |
| F | CYS307 |
| F | CYS309 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN G 1357 |
| Chain | Residue |
| G | HIS189 |
| G | GLU191 |
| G | HIS277 |
| G | MMK1358 |
| G | HOH2044 |
| site_id | CC7 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE MMK G 1358 |
| Chain | Residue |
| G | TYR133 |
| G | ASP136 |
| G | TYR176 |
| G | TYR178 |
| G | PHE186 |
| G | HIS189 |
| G | GLU191 |
| G | LYS207 |
| G | TRP209 |
| G | LYS242 |
| G | HIS277 |
| G | SER289 |
| G | THR290 |
| G | ASN291 |
| G | MN1357 |
| G | HOH2044 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN G 1359 |
| Chain | Residue |
| G | CYS235 |
| G | HIS241 |
| G | CYS307 |
| G | CYS309 |
| site_id | CC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI G 1360 |
| Chain | Residue |
| G | GLY230 |
| G | SER231 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN H 1357 |
| Chain | Residue |
| H | HIS189 |
| H | GLU191 |
| H | HIS277 |
| H | MMK1358 |
| H | HOH2075 |
| site_id | DC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MMK H 1358 |
| Chain | Residue |
| H | TYR133 |
| H | TYR176 |
| H | TYR178 |
| H | PHE186 |
| H | HIS189 |
| H | GLU191 |
| H | LYS207 |
| H | TRP209 |
| H | LYS242 |
| H | HIS277 |
| H | SER289 |
| H | MN1357 |
| H | HOH2075 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN H 1359 |
| Chain | Residue |
| H | CYS235 |
| H | HIS241 |
| H | CYS307 |
| H | CYS309 |
| site_id | DC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI H 1360 |
| Chain | Residue |
| A | LYS106 |
| H | GLY230 |
| site_id | DC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI H 1361 |
| Chain | Residue |
| H | LYS90 |
| H | LYS91 |
| site_id | DC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI H 1363 |
| Chain | Residue |
| H | HOH2119 |
| H | HOH2120 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 336 |
| Details | Domain: {"description":"JmjN","evidences":[{"source":"PROSITE-ProRule","id":"PRU00537","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"16677698","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"16677698","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26741168","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"16677698","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26741168","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 32 |
| Details | Binding site: {"evidences":[{"source":"PDB","id":"5F2W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F32","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F37","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F39","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F3E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F3G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5F5I","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"B2RXH2","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| A | GLY171 | hydrogen bond acceptor, steric role |
| A | TYR178 | hydrogen bond donor, steric role |
| A | HIS189 | metal ligand |
| A | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| A | HIS277 | metal ligand |
| A | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| B | GLY171 | hydrogen bond acceptor, steric role |
| B | TYR178 | hydrogen bond donor, steric role |
| B | HIS189 | metal ligand |
| B | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| B | HIS277 | metal ligand |
| B | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA3 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| C | GLY171 | hydrogen bond acceptor, steric role |
| C | TYR178 | hydrogen bond donor, steric role |
| C | HIS189 | metal ligand |
| C | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| C | HIS277 | metal ligand |
| C | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA4 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| D | GLY171 | hydrogen bond acceptor, steric role |
| D | TYR178 | hydrogen bond donor, steric role |
| D | HIS189 | metal ligand |
| D | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| D | HIS277 | metal ligand |
| D | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA5 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| E | GLY171 | hydrogen bond acceptor, steric role |
| E | TYR178 | hydrogen bond donor, steric role |
| E | HIS189 | metal ligand |
| E | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| E | HIS277 | metal ligand |
| E | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA6 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| F | GLY171 | hydrogen bond acceptor, steric role |
| F | TYR178 | hydrogen bond donor, steric role |
| F | HIS189 | metal ligand |
| F | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| F | HIS277 | metal ligand |
| F | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA7 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| G | GLY171 | hydrogen bond acceptor, steric role |
| G | TYR178 | hydrogen bond donor, steric role |
| G | HIS189 | metal ligand |
| G | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| G | HIS277 | metal ligand |
| G | SER289 | hydrogen bond donor, steric role |
| site_id | MCSA8 |
| Number of Residues | 6 |
| Details | M-CSA 370 |
| Chain | Residue | Details |
| H | GLY171 | hydrogen bond acceptor, steric role |
| H | TYR178 | hydrogen bond donor, steric role |
| H | HIS189 | metal ligand |
| H | GLU191 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
| H | HIS277 | metal ligand |
| H | SER289 | hydrogen bond donor, steric role |
