6G5X
Crystal Structure of KDM4A with compound YP-02-145
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | binding site for residue ZN A 401 |
Chain | Residue |
A | CYS234 |
A | HIS240 |
A | CYS306 |
A | CYS308 |
site_id | AC2 |
Number of Residues | 3 |
Details | binding site for residue NI A 402 |
Chain | Residue |
A | CIT408 |
A | HOH668 |
B | MY7406 |
site_id | AC3 |
Number of Residues | 3 |
Details | binding site for residue NI A 403 |
Chain | Residue |
A | HOH742 |
A | HIS215 |
A | HOH724 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue NI A 404 |
Chain | Residue |
A | HIS188 |
A | GLU190 |
A | HIS276 |
A | CIT407 |
A | HOH506 |
A | HOH588 |
site_id | AC5 |
Number of Residues | 6 |
Details | binding site for residue EDO A 405 |
Chain | Residue |
A | GLU235 |
A | ALA236 |
A | PHE237 |
A | LEU238 |
A | HOH510 |
A | HOH519 |
site_id | AC6 |
Number of Residues | 4 |
Details | binding site for residue EDO A 406 |
Chain | Residue |
A | ARG98 |
A | ASN102 |
A | HOH680 |
B | HOH709 |
site_id | AC7 |
Number of Residues | 17 |
Details | binding site for residue CIT A 407 |
Chain | Residue |
A | TYR132 |
A | TYR177 |
A | PHE185 |
A | HIS188 |
A | ASN198 |
A | LYS206 |
A | TRP208 |
A | HIS276 |
A | ALA286 |
A | SER288 |
A | NI404 |
A | HOH506 |
A | HOH570 |
A | HOH588 |
A | HOH597 |
A | HOH624 |
A | HOH646 |
site_id | AC8 |
Number of Residues | 9 |
Details | binding site for residue CIT A 408 |
Chain | Residue |
A | GLU214 |
A | HIS215 |
A | ARG218 |
A | NI402 |
A | HOH514 |
A | HOH668 |
B | GLU115 |
B | LYS259 |
B | MY7406 |
site_id | AC9 |
Number of Residues | 6 |
Details | binding site for residue GOL A 409 |
Chain | Residue |
A | SER316 |
A | ASP318 |
A | ARG322 |
A | LYS330 |
A | HOH512 |
A | HOH657 |
site_id | AD1 |
Number of Residues | 4 |
Details | binding site for residue ZN B 401 |
Chain | Residue |
B | CYS234 |
B | HIS240 |
B | CYS306 |
B | CYS308 |
site_id | AD2 |
Number of Residues | 6 |
Details | binding site for residue NI B 402 |
Chain | Residue |
B | HIS188 |
B | GLU190 |
B | HIS276 |
B | CIT405 |
B | HOH503 |
B | HOH580 |
site_id | AD3 |
Number of Residues | 6 |
Details | binding site for residue EDO B 403 |
Chain | Residue |
B | LYS224 |
B | GLU235 |
B | ALA236 |
B | PHE237 |
B | LEU238 |
B | EDO404 |
site_id | AD4 |
Number of Residues | 7 |
Details | binding site for residue EDO B 404 |
Chain | Residue |
B | HIS188 |
B | THR189 |
B | LEU238 |
B | ARG239 |
B | TYR275 |
B | EDO403 |
B | HOH593 |
site_id | AD5 |
Number of Residues | 16 |
Details | binding site for residue CIT B 405 |
Chain | Residue |
B | TYR132 |
B | TYR177 |
B | PHE185 |
B | HIS188 |
B | ASN198 |
B | LYS206 |
B | TRP208 |
B | HIS276 |
B | ALA286 |
B | NI402 |
B | HOH503 |
B | HOH550 |
B | HOH580 |
B | HOH615 |
B | HOH659 |
B | HOH675 |
site_id | AD6 |
Number of Residues | 19 |
Details | binding site for residue MY7 B 406 |
Chain | Residue |
A | GLY254 |
A | PRO256 |
A | NI402 |
A | CIT408 |
B | PHE114 |
B | GLU115 |
B | GLU118 |
B | SER207 |
B | TRP208 |
B | TYR209 |
B | LYS259 |
B | VAL260 |
B | THR261 |
B | HOH583 |
B | HOH619 |
B | HOH644 |
B | HOH658 |
A | HIS215 |
A | ARG218 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 6 |
Details | BINDING: BINDING => ECO:0000269|PubMed:16677698 |
Chain | Residue | Details |
A | TYR132 | |
A | ASN198 | |
A | LYS206 | |
B | TYR132 | |
B | ASN198 | |
B | LYS206 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168 |
Chain | Residue | Details |
A | HIS188 | |
A | HIS276 | |
B | HIS188 | |
B | HIS276 |
site_id | SWS_FT_FI3 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000269|PubMed:16677698, ECO:0000305|PubMed:26741168 |
Chain | Residue | Details |
A | GLU190 | |
B | GLU190 |
site_id | SWS_FT_FI4 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0007744|PDB:5F2W, ECO:0007744|PDB:5F32, ECO:0007744|PDB:5F37, ECO:0007744|PDB:5F39, ECO:0007744|PDB:5F3E, ECO:0007744|PDB:5F3G, ECO:0007744|PDB:5F5I |
Chain | Residue | Details |
A | CYS234 | |
A | HIS240 | |
A | CYS306 | |
A | CYS308 | |
B | CYS234 | |
B | HIS240 | |
B | CYS306 | |
B | CYS308 |
site_id | SWS_FT_FI5 |
Number of Residues | 2 |
Details | BINDING: BINDING => ECO:0000250|UniProtKB:B2RXH2 |
Chain | Residue | Details |
A | LYS241 | |
B | LYS241 |
site_id | SWS_FT_FI6 |
Number of Residues | 2 |
Details | MOD_RES: N-acetylalanine => ECO:0007744|PubMed:19413330 |
Chain | Residue | Details |
A | ALA2 | |
B | ALA2 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 6 |
Details | M-CSA 370 |
Chain | Residue | Details |
A | GLY170 | hydrogen bond acceptor, steric role |
A | TYR177 | hydrogen bond donor, steric role |
A | HIS188 | metal ligand |
A | GLU190 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
A | HIS276 | metal ligand |
A | SER288 | hydrogen bond donor, steric role |
site_id | MCSA2 |
Number of Residues | 6 |
Details | M-CSA 370 |
Chain | Residue | Details |
B | GLY170 | hydrogen bond acceptor, steric role |
B | TYR177 | hydrogen bond donor, steric role |
B | HIS188 | metal ligand |
B | GLU190 | attractive charge-charge interaction, hydrogen bond acceptor, metal ligand, steric role |
B | HIS276 | metal ligand |
B | SER288 | hydrogen bond donor, steric role |