5LGT
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 33 |
Details | binding site for residue FAD A 901 |
Chain | Residue |
A | GLY285 |
A | GLY315 |
A | ARG316 |
A | LEU329 |
A | GLY330 |
A | ALA331 |
A | MET332 |
A | VAL333 |
A | THR588 |
A | ALA589 |
A | VAL590 |
A | GLY287 |
A | THR624 |
A | LEU625 |
A | PRO626 |
A | LEU659 |
A | TRP751 |
A | TRP756 |
A | SER760 |
A | TYR761 |
A | GLY800 |
A | GLU801 |
A | VAL288 |
A | THR810 |
A | VAL811 |
A | ALA814 |
A | 6W3902 |
A | SER289 |
A | LEU307 |
A | GLU308 |
A | ALA309 |
A | ARG310 |
A | GLY314 |
site_id | AC2 |
Number of Residues | 9 |
Details | binding site for residue 6W3 A 902 |
Chain | Residue |
A | THR335 |
A | PHE538 |
A | ALA539 |
A | ASP555 |
A | TRP695 |
A | TYR761 |
A | PRO808 |
A | ALA809 |
A | FAD901 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
Chain | Residue | Details |
B | ASN460 | |
A | GLU308 | |
A | ARG310 | |
A | ARG316 | |
A | MET332 | |
A | GLU801 | |
A | THR810 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
Chain | Residue | Details |
B | GLU466 |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER131 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | TYR135 |
site_id | SWS_FT_FI5 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER137 |
site_id | SWS_FT_FI6 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18220336, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
Chain | Residue | Details |
A | SER166 |
site_id | SWS_FT_FI7 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
Chain | Residue | Details |
A | SER611 |
site_id | SWS_FT_FI8 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231 |
Chain | Residue | Details |
A | SER849 |
site_id | SWS_FT_FI9 |
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 | LYS442 | |
A | LYS469 |
site_id | SWS_FT_FI10 |
Number of Residues | 2 |
Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000305|PubMed:25018020 |
Chain | Residue | Details |
A | LYS503 |