5FYY

Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3-pyridin-3-ylaniline (N05798a) (ligand modelled based on PANDDA event map)

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1754

Chain	Residue
A	CYS692
A	CYS695
A	CYS715
A	HIS718

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1755

Chain	Residue
A	CYS706
A	CYS708
A	CYS723
A	CYS725

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 1756

Chain	Residue
A	ASN91
A	LEU413
A	THR416
A	GLU419
A	LEU90

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN A 1757

Chain	Residue
A	HIS499
A	GLU501
A	HIS587
A	N6Y1758
A	HOH2119
A	HOH2124

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE N6Y A 1758

Chain	Residue
A	VAL99
A	TYR488
A	PHE496
A	HIS499
A	ASN509
A	TRP519
A	HIS587
A	MN1757
A	EDO1770
A	EDO1771
A	DMS1777
A	HOH2124
A	HOH2130
A	HOH2131

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1759

Chain	Residue
A	ASP630
A	CYS699
A	PHE700
A	MET701
A	SER702
A	HOH2172

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1760

Chain	Residue
A	PHE83
A	GLY426
A	ALA427
A	LEU487
A	VAL489
A	HOH2095

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1761

Chain	Residue
A	ARG666
A	TYR734
A	THR737
A	HOH2229

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1762

Chain	Residue
A	ARG612
A	ASP630
A	MET658
A	GLU662
A	LEU665

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1763

Chain	Residue
A	PRO30
A	VAL568
A	TYR569

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1764

Chain	Residue
A	ASP688
A	GLU689
A	ARG690
A	GLN691
A	VAL693
A	GLY711
A	LEU713

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1765

Chain	Residue
A	GLY524
A	TYR525
A	ARG584
A	HOH2233

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1766

Chain	Residue
A	VAL674
A	ILE675
A	LEU732
A	HOH2090
A	HOH2189

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 1767

Chain	Residue
A	HIS564
A	GLU565

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1768

Chain	Residue
A	GLU409
A	TYR728
A	HOH2003

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1769

Chain	Residue
A	ALA388
A	HOH2067
A	HOH2072
A	HOH2082

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1770

Chain	Residue
A	ARG98
A	CYS497
A	HIS499
A	N6Y1758
A	DMS1777

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1771

Chain	Residue
A	TYR488
A	SER494
A	LYS517
A	ASN591
A	N6Y1758
A	HOH2115

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1772

Chain	Residue
A	ALA95
A	GLN96
A	THR97
A	HOH2052
A	HOH2054

---

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1773

Chain	Residue
A	LEU716
A	HIS717
A	VAL719
A	HOH2221
A	HOH2235
A	THR668

---

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 1774

Chain	Residue
A	TRP39
A	GLU453

---

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1775

Chain	Residue
A	GLN652
A	LYS653
A	ALA656

---

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS A 1776

Chain	Residue
A	TRP486
A	TYR488
A	SER507
A	VAL600
A	ASN601
A	HOH2130

---

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS A 1777

Chain	Residue
A	THR97
A	TYR425
A	SER495
A	PHE496
A	CYS497
A	N6Y1758
A	EDO1770

---

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS A 1778

Chain	Residue
A	ILE500
A	TRP504
A	HIS617
A	LEU621
A	ARG623
A	HOH2123

---

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 1779

Chain	Residue
A	CYS634
A	LYS635
A	TYR736
A	HOH2174

---

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 A 1780

Chain	Residue
A	HIS622
A	LYS694
A	HIS718
A	HOH2162
A	HOH2165

---

site_id	DC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO A 1781

Chain	Residue
A	HOH2211

---

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	166
Details	Domain: {"description":"JmjC","evidences":[{"source":"PROSITE-ProRule","id":"PRU00538","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	52
Details	Zinc finger: {"description":"C5HC2","evidences":[{"source":"PubMed","id":"26741168","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27214403","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28262558","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"P29375","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26741168","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27214403","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"28262558","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---