6BGV

LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40)

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	binding site for residue DQG A 601

Chain	Residue
A	ARG73
A	HIS483
A	LYS501
A	TRP503
A	HIS571
A	MN602
A	EDO609
A	HOH870
A	HOH872
A	TYR409
A	ALA411
A	ASP412
A	TRP470
A	TYR472
A	SER479
A	PHE480
A	CYS481

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MN A 602

Chain	Residue
A	HIS483
A	GLU485
A	HIS571
A	DQG601
A	HOH753
A	HOH872

---

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	HOH707
A	HOH778
A	HOH830

---

site_id	AC4
Number of Residues	8
Details	binding site for residue GOL A 604

Chain	Residue
A	GLU81
A	SER399
A	ILE539
A	MET540
A	ASN541
A	HOH721
A	HOH760
A	HOH856

---

site_id	AC5
Number of Residues	8
Details	binding site for residue GOL A 605

Chain	Residue
A	GLU515
A	MET518
A	ASP531
A	HIS534
A	GLN535
A	TYR570
A	HOH706
A	HOH726

---

site_id	AC6
Number of Residues	7
Details	binding site for residue GOL A 606

Chain	Residue
A	ARG40
A	ARG76
A	GLU79
A	HOH823
A	HOH852
A	HOH857
A	HOH881

---

site_id	AC7
Number of Residues	1
Details	binding site for residue DMS A 607

Chain	Residue
A	TRP497

---

site_id	AC8
Number of Residues	5
Details	binding site for residue DMS A 608

Chain	Residue
A	CYS63
A	GLU64
A	VAL65
A	LYS66
A	ARG429

---

site_id	AC9
Number of Residues	6
Details	binding site for residue EDO A 609

Chain	Residue
A	LYS45
A	ARG73
A	HIS509
A	LEU536
A	TYR553
A	DQG601

---

site_id	AD1
Number of Residues	2
Details	binding site for residue EDO A 610

Chain	Residue
A	PRO53
A	HOH771

---

site_id	AD2
Number of Residues	3
Details	binding site for residue EDO A 611

Chain	Residue
A	ARG69
A	GLU512
A	HOH703

---

site_id	AD3
Number of Residues	7
Details	binding site for residue EDO A 612

Chain	Residue
A	SER479
A	PHE480
A	CYS481
A	ILE539
A	HOH717
A	HOH862
A	HOH890

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	41
Details	Domain: {"description":"JmjN","evidences":[{"source":"PROSITE-ProRule","id":"PRU00537","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Motif: {"description":"GSGFP motif","evidences":[{"source":"UniProtKB","id":"Q3UXZ9","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26645689","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27427228","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"26645689","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27214401","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27427228","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27499454","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26645689","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27214401","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27427228","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27499454","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---