6BGV
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue DQG A 601 |
| Chain | Residue |
| A | ARG73 |
| A | HIS483 |
| A | LYS501 |
| A | TRP503 |
| A | HIS571 |
| A | MN602 |
| A | EDO609 |
| A | HOH870 |
| A | HOH872 |
| A | TYR409 |
| A | ALA411 |
| A | ASP412 |
| A | TRP470 |
| A | TYR472 |
| A | SER479 |
| A | PHE480 |
| A | CYS481 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue MN A 602 |
| Chain | Residue |
| A | HIS483 |
| A | GLU485 |
| A | HIS571 |
| A | DQG601 |
| A | HOH753 |
| A | HOH872 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 603 |
| Chain | Residue |
| A | MET380 |
| A | PRO381 |
| A | GLU485 |
| A | ASP486 |
| A | HIS487 |
| A | TRP488 |
| A | HOH707 |
| A | HOH778 |
| A | HOH830 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 604 |
| Chain | Residue |
| A | GLU81 |
| A | SER399 |
| A | ILE539 |
| A | MET540 |
| A | ASN541 |
| A | HOH721 |
| A | HOH760 |
| A | HOH856 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 605 |
| Chain | Residue |
| A | GLU515 |
| A | MET518 |
| A | ASP531 |
| A | HIS534 |
| A | GLN535 |
| A | TYR570 |
| A | HOH706 |
| A | HOH726 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 606 |
| Chain | Residue |
| A | ARG40 |
| A | ARG76 |
| A | GLU79 |
| A | HOH823 |
| A | HOH852 |
| A | HOH857 |
| A | HOH881 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 607 |
| Chain | Residue |
| A | TRP497 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 608 |
| Chain | Residue |
| A | CYS63 |
| A | GLU64 |
| A | VAL65 |
| A | LYS66 |
| A | ARG429 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 609 |
| Chain | Residue |
| A | LYS45 |
| A | ARG73 |
| A | HIS509 |
| A | LEU536 |
| A | TYR553 |
| A | DQG601 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 610 |
| Chain | Residue |
| A | PRO53 |
| A | HOH771 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 611 |
| Chain | Residue |
| A | ARG69 |
| A | GLU512 |
| A | HOH703 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 612 |
| Chain | Residue |
| A | SER479 |
| A | PHE480 |
| A | CYS481 |
| A | ILE539 |
| A | HOH717 |
| A | HOH862 |
| A | HOH890 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 50 |
| Details | ZN_FING: PHD-type 1 => ECO:0000255|PROSITE-ProRule:PRU00146 |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:26645689, ECO:0000269|PubMed:27427228 |
| Chain | Residue | Details |
| A | TYR409 | |
| A | SER491 | |
| A | ASN493 | |
| A | LYS501 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00538, ECO:0000305|PubMed:26645689, ECO:0000305|PubMed:27214401, ECO:0000305|PubMed:27427228, ECO:0000305|PubMed:27499454 |
| Chain | Residue | Details |
| A | HIS483 | |
| A | HIS571 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:26645689, ECO:0000305|PubMed:27214401, ECO:0000305|PubMed:27427228, ECO:0000305|PubMed:27499454 |
| Chain | Residue | Details |
| A | GLU485 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER464 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LEU451 |
