Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5LS6

Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006338	biological_process	chromatin remodeling
A	0042054	molecular_function	histone methyltransferase activity
A	0046976	molecular_function	histone H3K27 methyltransferase activity
D	0006338	biological_process	chromatin remodeling
D	0042054	molecular_function	histone methyltransferase activity
D	0046976	molecular_function	histone H3K27 methyltransferase activity
G	0006338	biological_process	chromatin remodeling
G	0042054	molecular_function	histone methyltransferase activity
G	0046976	molecular_function	histone H3K27 methyltransferase activity
J	0006338	biological_process	chromatin remodeling
J	0042054	molecular_function	histone methyltransferase activity
J	0046976	molecular_function	histone H3K27 methyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 801

Chain	Residue
A	CYS286
A	CYS289
A	CYS294
A	HIS297

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 802

Chain	Residue
A	CYS320
A	CYS324
A	CYS452
A	CYS463

site_id	AC3
Number of Residues	5
Details	binding site for residue ZN A 803

Chain	Residue
A	CYS543
A	CYS549
A	CYS553
A	ZN804
A	CYS530

site_id	AC4
Number of Residues	6
Details	binding site for residue ZN A 804

Chain	Residue
A	CYS523
A	HIS525
A	CYS530
A	CYS534
A	ZN803
A	ZN805

site_id	AC5
Number of Residues	5
Details	binding site for residue ZN A 805

Chain	Residue
A	CYS523
A	CYS536
A	CYS543
A	CYS547
A	ZN804

site_id	AC6
Number of Residues	6
Details	binding site for residue ZN A 806

Chain	Residue
A	CYS560
A	CYS566
A	CYS580
A	CYS588
A	CYS601
A	ZN808

site_id	AC7
Number of Residues	4
Details	binding site for residue ZN A 807

Chain	Residue
A	CYS560
A	CYS573
A	CYS580
A	CYS585

site_id	AC8
Number of Residues	5
Details	binding site for residue ZN A 808

Chain	Residue
A	CYS560
A	CYS562
A	CYS566
A	CYS571
A	ZN806

site_id	AC9
Number of Residues	10
Details	binding site for residue 74D A 809

Chain	Residue
A	ILE109
A	TYR111
A	TRP624
A	TYR658
A	CYS663
A	PHE665
A	PHE686
A	ASN688
B	ARG236
B	ASP237

site_id	AD1
Number of Residues	4
Details	binding site for residue ZN D 801

Chain	Residue
D	CYS286
D	CYS289
D	CYS294
D	HIS297

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN D 802

Chain	Residue
D	CYS320
D	CYS324
D	CYS452
D	CYS463

site_id	AD3
Number of Residues	5
Details	binding site for residue ZN D 803

Chain	Residue
D	CYS530
D	CYS543
D	CYS549
D	CYS553
D	ZN804

site_id	AD4
Number of Residues	5
Details	binding site for residue ZN D 804

Chain	Residue
D	CYS523
D	HIS525
D	CYS530
D	CYS534
D	ZN803

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN D 805

Chain	Residue
D	CYS523
D	CYS536
D	CYS543
D	CYS547

site_id	AD6
Number of Residues	6
Details	binding site for residue ZN D 806

Chain	Residue
D	CYS560
D	CYS566
D	CYS580
D	CYS588
D	CYS601
D	ZN808

site_id	AD7
Number of Residues	4
Details	binding site for residue ZN D 807

Chain	Residue
D	CYS560
D	CYS573
D	CYS580
D	CYS585

site_id	AD8
Number of Residues	5
Details	binding site for residue ZN D 808

Chain	Residue
D	CYS560
D	CYS562
D	CYS566
D	CYS571
D	ZN806

site_id	AD9
Number of Residues	13
Details	binding site for residue 74D D 809

Chain	Residue
D	ILE109
D	MET110
D	TYR111
D	GLY623
D	TRP624
D	TYR658
D	TYR661
D	CYS663
D	PHE665
D	ARG685
D	PHE686
D	ASN688
E	ASP237

site_id	AE1
Number of Residues	4
Details	binding site for residue ZN G 801

Chain	Residue
G	CYS286
G	CYS289
G	CYS294
G	HIS297

site_id	AE2
Number of Residues	5
Details	binding site for residue ZN G 802

Chain	Residue
G	CYS320
G	CYS324
G	TYR325
G	CYS452
G	CYS463

site_id	AE3
Number of Residues	4
Details	binding site for residue ZN G 803

Chain	Residue
G	CYS530
G	CYS543
G	CYS549
G	CYS553

site_id	AE4
Number of Residues	4
Details	binding site for residue ZN G 804

Chain	Residue
G	CYS523
G	HIS525
G	CYS530
G	CYS534

site_id	AE5
Number of Residues	4
Details	binding site for residue ZN G 805

Chain	Residue
G	CYS523
G	CYS536
G	CYS543
G	CYS547

site_id	AE6
Number of Residues	5
Details	binding site for residue ZN G 806

Chain	Residue
G	CYS566
G	CYS580
G	CYS588
G	CYS601
G	ZN808

site_id	AE7
Number of Residues	5
Details	binding site for residue ZN G 807

Chain	Residue
G	CYS560
G	CYS573
G	CYS580
G	CYS585
G	ZN808

site_id	AE8
Number of Residues	6
Details	binding site for residue ZN G 808

Chain	Residue
G	CYS560
G	CYS562
G	CYS566
G	CYS571
G	ZN806
G	ZN807

site_id	AE9
Number of Residues	12
Details	binding site for residue 74D G 809

Chain	Residue
G	MET110
G	TYR111
G	PRO132
G	TRP624
G	VAL657
G	TYR661
G	CYS663
G	PHE665
G	THR678
G	ARG685
G	PHE686
G	ASN688

site_id	AF1
Number of Residues	4
Details	binding site for residue ZN J 801

Chain	Residue
J	CYS286
J	CYS289
J	CYS294
J	HIS297

site_id	AF2
Number of Residues	4
Details	binding site for residue ZN J 802

Chain	Residue
J	CYS320
J	CYS324
J	CYS452
J	CYS463

site_id	AF3
Number of Residues	4
Details	binding site for residue ZN J 803

Chain	Residue
J	CYS530
J	CYS543
J	CYS549
J	CYS553

site_id	AF4
Number of Residues	4
Details	binding site for residue ZN J 804

Chain	Residue
J	CYS523
J	HIS525
J	CYS530
J	CYS534

site_id	AF5
Number of Residues	4
Details	binding site for residue ZN J 805

Chain	Residue
J	CYS523
J	CYS536
J	CYS543
J	CYS547

site_id	AF6
Number of Residues	6
Details	binding site for residue ZN J 806

Chain	Residue
J	CYS560
J	CYS566
J	CYS580
J	CYS588
J	CYS601
J	ZN808

site_id	AF7
Number of Residues	5
Details	binding site for residue ZN J 807

Chain	Residue
J	CYS560
J	CYS573
J	CYS580
J	CYS585
J	ZN808

site_id	AF8
Number of Residues	6
Details	binding site for residue ZN J 808

Chain	Residue
J	CYS560
J	CYS562
J	CYS566
J	CYS571
J	ZN806
J	ZN807

site_id	AF9
Number of Residues	10
Details	binding site for residue 74D J 809

Chain	Residue
J	MET110
J	TYR111
J	GLY623
J	TRP624
J	TYR661
J	CYS663
J	PHE665
J	ARG685
J	PHE686
K	ASP237

site_id	AG1
Number of Residues	11
Details	binding site for Di-peptide ARG Q 6 and M3L Q 7

Chain	Residue
A	ASP136
A	ASP140
B	PHE97
B	TYR148
B	ILE363
B	TRP364
B	TYR365
B	ARG414
Q	GLN3
Q	GLN5
Q	PHE8

site_id	AG2
Number of Residues	9
Details	binding site for Di-peptide M3L Q 7 and PHE Q 8

Chain	Residue
A	ASP136
B	PHE97
B	TYR148
B	ILE363
B	TRP364
B	TYR365
B	ARG414
Q	ARG6
Q	ALA9

site_id	AG3
Number of Residues	11
Details	binding site for Di-peptide ARG R 6 and M3L R 7

Chain	Residue
D	ASP136
E	TYR148
E	ILE363
E	TRP364
E	ARG414
K	LYS408
R	GLN3
R	ALA4
R	GLN5
R	PHE8
R	GLN10

site_id	AG4
Number of Residues	7
Details	binding site for Di-peptide M3L R 7 and PHE R 8

Chain	Residue
D	ASP136
E	TYR148
E	ILE363
E	TRP364
E	ARG414
R	ARG6
R	ALA9

site_id	AG5
Number of Residues	10
Details	binding site for Di-peptide ARG S 6 and M3L S 7

Chain	Residue
G	ASP136
H	PHE97
H	ILE363
H	TRP364
H	TYR365
H	ARG414
S	GLN3
S	ALA4
S	GLN5
S	PHE8

site_id	AG6
Number of Residues	9
Details	binding site for Di-peptide M3L S 7 and PHE S 8

Chain	Residue
G	ASP136
H	PHE97
H	ILE363
H	TRP364
H	TYR365
H	ARG414
H	ASP430
S	ARG6
S	ALA9

site_id	AG7
Number of Residues	11
Details	binding site for Di-peptide ARG T 6 and M3L T 7

Chain	Residue
J	ASP136
J	ASP140
K	PHE97
K	TYR148
K	ILE363
K	TRP364
K	TYR365
K	ARG414
T	GLN5
T	PHE8
T	ALA9

site_id	AG8
Number of Residues	9
Details	binding site for Di-peptide M3L T 7 and PHE T 8

Chain	Residue
J	ASP136
K	PHE97
K	TYR148
K	ILE363
K	TRP364
K	TYR365
K	ARG414
T	ARG6
T	ALA9

Functional Information from PROSITE/UniProt

site_id	PS00678
Number of Residues	15
Details	WD_REPEATS_1 Trp-Asp (WD) repeats signature. LLSVskDhALRLWNI

Chain	Residue	Details
B	LEU206-ILE220

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	460
Details	Domain: {"description":"SET","evidences":[{"source":"PROSITE-ProRule","id":"PRU00190","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	116
Details	Region: {"description":"Interaction with EED","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine; by PKB/AKT1","evidences":[{"source":"PubMed","id":"16224021","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine; by CDK1 and CDK2","evidences":[{"source":"PubMed","id":"20935635","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Glycosylation: {"description":"O-linked (GlcNAc) serine","evidences":[{"source":"PubMed","id":"24474760","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	8
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_FI9
Number of Residues	172
Details	Repeat: {"description":"WD 1"}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	172
Details	Repeat: {"description":"WD 2"}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	160
Details	Repeat: {"description":"WD 3"}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	164
Details	Repeat: {"description":"WD 4"}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	148
Details	Repeat: {"description":"WD 5"}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	160
Details	Repeat: {"description":"WD 6"}

Chain

Residue

Details

site_id	SWS_FT_FI15
Number of Residues	132
Details	Repeat: {"description":"WD 7"}

Chain

Residue

Details

site_id	SWS_FT_FI16
Number of Residues	1440
Details	Region: {"description":"Interaction with EZH2","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI17
Number of Residues	1176
Details	Region: {"description":"Required for interaction with the matrix protein MA of HIV-1"}

Chain

Residue

Details

site_id	SWS_FT_FI18
Number of Residues	12
Details	Modified residue: {"description":"N6-methyllysine; alternate","evidences":[{"source":"PubMed","id":"20974918","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI19
Number of Residues	304
Details	Region: {"description":"VEFS-box"}

Chain

Residue

Details

site_id	SWS_FT_FI20
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18220336","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)