5FZH
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1754 |
| Chain | Residue |
| A | CYS692 |
| A | CYS695 |
| A | CYS715 |
| A | HIS718 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A 1755 |
| Chain | Residue |
| A | HOH2115 |
| A | TRP486 |
| A | TYR488 |
| A | GLU501 |
| A | VAL600 |
| A | ASN601 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS A 1756 |
| Chain | Residue |
| A | THR97 |
| A | TYR425 |
| A | SER495 |
| A | PHE496 |
| A | CYS497 |
| A | 0TI1770 |
| A | HOH2112 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A 1757 |
| Chain | Residue |
| A | GLU631 |
| A | LYS635 |
| A | GLU683 |
| A | TYR736 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MN A 1758 |
| Chain | Residue |
| A | HIS499 |
| A | GLU501 |
| A | HIS587 |
| A | HOH2115 |
| A | HOH2116 |
| A | HOH2121 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE EPE A 1759 |
| Chain | Residue |
| A | TRP504 |
| A | GLU531 |
| A | MET534 |
| A | LEU541 |
| A | GLN545 |
| A | LEU552 |
| A | TYR586 |
| A | HIS617 |
| A | TYR618 |
| A | LEU621 |
| A | ARG623 |
| A | HOH2113 |
| A | HOH2120 |
| A | HOH2144 |
| A | HOH2229 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 1760 |
| Chain | Residue |
| A | ASP630 |
| A | CYS699 |
| A | PHE700 |
| A | MET701 |
| A | SER702 |
| A | EDO1763 |
| A | HOH2173 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 1761 |
| Chain | Residue |
| A | PHE83 |
| A | GLY426 |
| A | ALA427 |
| A | ASP428 |
| A | LEU487 |
| A | VAL489 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1762 |
| Chain | Residue |
| A | LEU732 |
| A | TYR734 |
| A | HOH2230 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 1763 |
| Chain | Residue |
| A | ARG612 |
| A | ASP630 |
| A | MET658 |
| A | GLU662 |
| A | EDO1760 |
| A | HOH2129 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1764 |
| Chain | Residue |
| A | GLY524 |
| A | ARG584 |
| A | HOH2231 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 1765 |
| Chain | Residue |
| A | VAL674 |
| A | ILE675 |
| A | HOH2086 |
| A | HOH2187 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 1766 |
| Chain | Residue |
| A | ASP688 |
| A | GLU689 |
| A | ARG690 |
| A | GLN691 |
| A | VAL693 |
| A | GLY711 |
| A | LEU713 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 1767 |
| Chain | Residue |
| A | PRO30 |
| A | VAL568 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1768 |
| Chain | Residue |
| A | ALA664 |
| A | GLU667 |
| A | THR668 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 1769 |
| Chain | Residue |
| A | LEU90 |
| A | ASN91 |
| A | LEU413 |
| A | THR416 |
| A | GLU419 |
| site_id | BC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 0TI A 1770 |
| Chain | Residue |
| A | VAL99 |
| A | TYR488 |
| A | PHE496 |
| A | ASN509 |
| A | LYS517 |
| A | ASN591 |
| A | DMS1756 |
| A | HOH2108 |
Functional Information from SwissProt/UniProt
| Chain | Residue | Details |
| A | CYS692-MET744 | |
| Chain | Residue | Details |
| A | TYR425 | |
| A | SER507 | |
| A | ASN509 | |
| A | LYS517 | |
| Chain | Residue | Details |
| A | HIS499 | |
| A | GLU501 | |
| A | HIS587 | |
| Chain | Residue | Details |
| A | LYS769 | |
