6BGW
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 16 |
Details | binding site for residue DKS A 601 |
Chain | Residue |
A | ARG73 |
A | ASN493 |
A | LYS501 |
A | TRP503 |
A | HIS571 |
A | MN602 |
A | HOH735 |
A | HOH817 |
A | TYR409 |
A | ALA411 |
A | ASP412 |
A | TRP470 |
A | TYR472 |
A | PHE480 |
A | CYS481 |
A | HIS483 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue MN A 602 |
Chain | Residue |
A | HIS483 |
A | GLU485 |
A | HIS571 |
A | DKS601 |
A | HOH763 |
A | HOH817 |
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 | HOH704 |
A | HOH720 |
A | HOH779 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue GOL A 604 |
Chain | Residue |
A | GLU23 |
A | PRO53 |
A | HOH702 |
A | HOH748 |
site_id | AC5 |
Number of Residues | 6 |
Details | binding site for residue GOL A 605 |
Chain | Residue |
A | GLU81 |
A | VAL398 |
A | ILE539 |
A | MET540 |
A | ASN541 |
A | HOH789 |
site_id | AC6 |
Number of Residues | 1 |
Details | binding site for residue GOL A 606 |
Chain | Residue |
A | VAL455 |
site_id | AC7 |
Number of Residues | 7 |
Details | binding site for residue GOL A 607 |
Chain | Residue |
A | LYS45 |
A | ARG73 |
A | HIS509 |
A | LEU536 |
A | TYR553 |
A | HOH762 |
A | HOH857 |
site_id | AC8 |
Number of Residues | 4 |
Details | binding site for residue DMS A 608 |
Chain | Residue |
A | GLU64 |
A | VAL65 |
A | LYS66 |
A | ARG429 |
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 |