5LGN

Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005634	cellular_component	nucleus
A	0006355	biological_process	regulation of DNA-templated transcription
A	0016491	molecular_function	oxidoreductase activity
A	0050660	molecular_function	flavin adenine dinucleotide binding

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	VAL317
A	LEU329
A	GLY330
A	ALA331
A	MET332
A	VAL333
A	THR592
A	VAL594
A	GLY287
A	THR628
A	LEU629
A	PRO630
A	TRP755
A	TRP760
A	SER764
A	TYR765
A	GLY804
A	GLU805
A	THR814
A	VAL288
A	VAL815
A	ALA818
A	6W0902
A	SER289
A	LEU307
A	GLU308
A	ALA309
A	ARG310
A	GLY314

---

site_id	AC2
Number of Residues	6
Details	binding site for residue 6W0 A 902

Chain	Residue
A	THR335
A	GLN358
A	TRP699
A	TYR765
A	ALA813
A	FAD901

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	99
Details	Domain: {"description":"SWIRM","evidences":[{"source":"PROSITE-ProRule","id":"PRU00247","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	121
Details	Coiled coil: {"evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16885027","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16956976","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21300290","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23721412","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2DW4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H94","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2HKO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2IW5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2V1D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2X0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XAG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XAJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XAQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XAS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Y48","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZMS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZMT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZMU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZMV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZMZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZN1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"27292636","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"25018020","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	51
Details	Domain: {"description":"SANT 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00624","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---