6BH3
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N55)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue DQJ A 601 |
| Chain | Residue |
| A | TYR409 |
| A | HIS571 |
| A | ASN575 |
| A | ALA583 |
| A | VAL584 |
| A | ASN585 |
| A | MN602 |
| A | GOL605 |
| A | HOH726 |
| A | TYR472 |
| A | SER479 |
| A | PHE480 |
| A | HIS483 |
| A | GLU485 |
| A | ASN493 |
| A | LYS501 |
| A | TRP503 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MN A 602 |
| Chain | Residue |
| A | HIS483 |
| A | GLU485 |
| A | HIS571 |
| A | DQJ601 |
| A | HOH726 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 603 |
| Chain | Residue |
| A | ASN556 |
| A | CYS558 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | binding site for residue GOL A 604 |
| Chain | Residue |
| A | MET380 |
| A | PRO381 |
| A | GLU485 |
| A | ASP486 |
| A | HIS487 |
| A | TRP488 |
| A | LEU532 |
| A | HOH705 |
| A | HOH712 |
| A | HOH750 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 605 |
| Chain | Residue |
| A | ASP412 |
| A | TYR472 |
| A | DQJ601 |
| A | HOH738 |
| A | HOH745 |
| A | HOH813 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 606 |
| Chain | Residue |
| A | LYS45 |
| A | ARG73 |
| A | HIS509 |
| A | PRO551 |
| A | TYR553 |
| A | EDO609 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 607 |
| Chain | Residue |
| A | SER399 |
| A | ILE539 |
| A | MET540 |
| A | ASN541 |
| A | HOH801 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 608 |
| Chain | Residue |
| A | MET466 |
| A | VAL468 |
| A | TRP470 |
| A | HOH719 |
| A | HOH779 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 609 |
| Chain | Residue |
| A | ARG73 |
| A | ASP412 |
| A | GLN513 |
| A | GLY549 |
| A | PRO551 |
| A | EDO606 |
| A | HOH706 |
| A | HOH848 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 610 |
| Chain | Residue |
| A | GLY353 |
| A | GLN356 |
| A | MET384 |
| A | TRP488 |
| A | SER508 |
| A | PRO567 |
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 |
