5LGU
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 32 |
| 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 | TRP756 |
| A | SER760 |
| A | TYR761 |
| A | GLY800 |
| A | GLU801 |
| A | ALA809 |
| A | THR810 |
| A | VAL288 |
| A | VAL811 |
| A | ALA814 |
| A | 6W1902 |
| A | SER289 |
| A | LEU307 |
| A | GLU308 |
| A | ALA309 |
| A | ARG310 |
| A | GLY314 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue 6W1 A 902 |
| Chain | Residue |
| A | THR335 |
| A | ALA539 |
| A | ASP555 |
| A | TRP695 |
| A | TYR761 |
| 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 |
| A | ARG310 | |
| A | ARG316 | |
| A | MET332 | |
| A | GLU801 | |
| A | THR810 | |
| A | GLU308 | |
| B | ASN460 |
| 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 | LYS469 | |
| A | LYS442 |
| 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 |
