|
2A7O
Solution Structure of the hSet2/HYPB SRI domain
Deposited 2005-07-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1954–2061(108 aa)
Fragment:Set2 Rpb1-interacting (SRI) domain, HSET2/HYBP SRI domain, residues 1954-2061
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 7;300 K;Ionic strength (raw mmCIF value) 100 mM KCl;Pressure ambient
NMR sample composition
U-15N (random labeling) HYPB, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition
U-95% 13C, U-98% 15N labeled HYPB, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition
Residue selective labeling with 15N-lysine HYPB, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition
U-95% 13C, U-98% 15N HYPB, 100% D2O | 100% D2O
NMR sample composition
Unlabeled HYPB,100% D2O | 100% D2O
NMR sample composition
10% 13C (fractional labeling) HYPB,100% D2O | 100% D2O
|
Resolution not provided
|
|
2MDC
Solution structure of the WW domain of HYPB
Deposited 2013-09-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
2385–2430(46 aa)
Fragment:UNP residues 2385- 2430
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6;298 K;Ionic strength (raw mmCIF value) 0.08;Pressure ambient
NMR sample composition
500 mM [U-99% 13C; U-99% 15N] H2O-1, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided
|
|
2MDI
Solution structure of the PP2WW mutant (KPP2WW) of HYPB
Deposited 2013-09-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
2377–2430(54 aa)
Fragment:UNP residues 2377-2430
|
Mutation:K11A, P12A, K13A
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6.5;298 K;Ionic strength (raw mmCIF value) 0.08;Pressure ambient
NMR sample composition
500 uM [U-99% 13C; U-99% 15N] KPP2WW-1, 20 mM sodium phosphate-2, 50 mM sodium chloride-3, 5%(w/v) sodium azide-4, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided
|
|
2MDJ
Solution structure of WW domain with polyproline stretch (PP2WW) of HYPB
Deposited 2013-09-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
2377–2430(54 aa)
Fragment:UNP residues 2377-2430
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6.5;298 K;Ionic strength (raw mmCIF value) 0.08;Pressure ambient
NMR sample composition
500uM [U-99% 13C; U-99% 15N] PP2WW-1, 20mM sodium phosphate-2, 50mM sodium chloride-3, 0.05%(w/v) sodium azide-4, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided
|
|
4FMU
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Deposited 2012-06-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
|
Not recorded
|
ZN ZINC ION × 3
0UM (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid × 1
UNX UNKNOWN LIGAND × 13
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;20% PEG4000, 10% isoprpanol, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å
R-free 0.235
|
|
4H12
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
Deposited 2012-09-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
Fragment:methyltransferase domain (UNP residues 1434-1711)
|
Not recorded
|
ZN ZINC ION × 3
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;298 K;1 uL protein (1:10 molar ratio of SETD2:AdoMet) + 1 uL reservoir solution (30% PEG2000 MME, 0.1 M potassium thiocyanate), VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.06 Å
R-free 0.249
|
|
5JJY
Crystal structure of SETD2 bound to histone H3.3 K36M peptide
Deposited 2016-04-25
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1434–1711(278 aa)
Fragment:catalytic domain, UNP residues 1434-1711
|
Not recorded
|
ZN ZINC ION × 3
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
SCN THIOCYANATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;277 K;0.2 M KSCN, 0.1 M Bis-Tris Propane, 20% PEG3350
|
Resolution 2.05 Å
R-free 0.213
|
|
5JLB
Crystal structure of SETD2 bound to histone H3.3 K36I peptide
Deposited 2016-04-26
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1434–1711(278 aa)
Fragment:catalytic domain, UNP residues 1434-1711
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
SCN THIOCYANATE ION × 3
GOL GLYCEROL × 2
ZN ZINC ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;277 K;0.2 M KSCN, 0.1 M Bis-Tris Propane, 20% PEG3350
|
Resolution 1.50 Å
R-free 0.190
|
|
5JLE
Crystal structure of SETD2 bound to SAH
Deposited 2016-04-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
Fragment:catalytic domain, UNP residues 1434-1711
|
Not recorded
|
ZN ZINC ION × 3
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8;291 K;0.1 M KSCN, 30% PEG2000mme
|
Resolution 2.40 Å
R-free 0.250
|
|
5LSS
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
SCN THIOCYANATE ION × 1
76H [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-propyl-azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;293 K;0.1M KSCN, 31.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7
|
Resolution 1.79 Å
R-free 0.226
|
|
5LSX
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
76O [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M Hepes, pH 7.3, 0.1MKSCN, 25-30%MPEG2000
|
Resolution 2.90 Å
R-free 0.280
|
|
5LSY
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
SCN THIOCYANATE ION × 1
76M [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(2-methylpropyl)azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.1M Hepes, PH7.3, 0.1MKSCN, 25-30%MPEG2000
|
Resolution 1.62 Å
R-free 0.215
|
|
5LSZ
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
SCN THIOCYANATE ION × 2
76K [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(3-oxidanylpropyl)azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M Hepes pH7.3, 0.1MKSCN, 25-30%MPEG2000
|
Resolution 1.62 Å
R-free 0.201
|
|
5LT6
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
SCN THIOCYANATE ION × 1
76J [(2~{S},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1MHepes,pH7.3, 0.1MKSCN, 25-30%MPEG2000.
|
Resolution 2.05 Å
R-free 0.231
|
|
5LT6
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
SCN THIOCYANATE ION × 1
76J [(2~{S},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-pentyl-azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1MHepes,pH7.3, 0.1MKSCN, 25-30%MPEG2000.
|
Resolution 2.05 Å
R-free 0.231
|
|
5LT7
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
|
Not recorded
|
ZN ZINC ION × 3
SCN THIOCYANATE ION × 2
76L [(2~{S},5~{R})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-[(2~{R})-2-oxidanylpropyl]azanium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M Hepes, PH7.3, 0.1MKSCN, 25-30%MPEG2000
|
Resolution 1.51 Å
R-free 0.192
|
|
5LT8
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Deposited 2016-09-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1433–1711(279 aa)
|
Not recorded
|
ZN ZINC ION × 3
SFG SINEFUNGIN × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M HEPES, PH7.3, 0.1MKSCN, 25-30%MPEG2000
|
Resolution 1.57 Å
R-free 0.216
|
|
5V21
Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAM
Deposited 2017-03-02
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1435–1711(277 aa)
Fragment:SET domain (UNP residues 1435-1711)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M KSCN, 24% (v/v) PEG 2000 MME
|
Resolution 2.42 Å
R-free 0.269
|
|
5V22
Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAH
Deposited 2017-03-02
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1435–1711(277 aa)
Fragment:SET domain (UNP residues 1435-1711)
|
Not recorded
|
ZN ZINC ION × 3
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M KSCN, 24% (v/v) PEG 2000 MME
|
Resolution 2.40 Å
R-free 0.257
|
|
6J9J
crystal structure of SESTD2 in complex with H3.3S31phK36M peptide
Deposited 2019-01-23
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1447–1703(257 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
SCN THIOCYANATE ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;0.2M potassium thiocyanate, 0.1M Bis-Tris propane,20% PEG 3350
|
Resolution 1.78 Å
R-free 0.206
|
|
6VDB
SETD2 in complex with a H3-variant super-substrate peptide
Deposited 2019-12-24
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1433–1711(279 aa)
|
Not recorded
|
SAH S-ADENOSYL-L-HOMOCYSTEINE × 1
UNX UNKNOWN LIGAND × 20
ZN ZINC ION × 3
SCN THIOCYANATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;0.2 M KSCN, 0.1 M Tris-HCl pH 8.5, and 26% PEG 3350
|
Resolution 2.30 Å
R-free 0.263
|
|
7EA8
Human SETD2 bound to a nucleosome containing oncohistone mutations
Deposited 2021-03-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 9
PDB declaration: undecameric
|
Chain L
1452–1696(245 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å
|
|
7EVR
Crystal structure of hnRNP L RRM2 in complex with SETD2
Deposited 2021-05-22
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
2167–2192(26 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.8M Potassium/Sodium phosphate, pH 7.5
|
Resolution 1.80 Å
R-free 0.198
|
|
7EVR
Crystal structure of hnRNP L RRM2 in complex with SETD2
Deposited 2021-05-22
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain D
2167–2192(26 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.8M Potassium/Sodium phosphate, pH 7.5
|
Resolution 1.80 Å
R-free 0.198
|
|
7LZB
Crystal Structure of SETD2 bound to Compound 2
Deposited 2021-03-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
YJ1 N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide × 1
BME BETA-MERCAPTOETHANOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Potassium thiocyanate, 0.1M Tris pH 7.8, 25% w/v PEG 2000 MME
|
Resolution 2.28 Å
R-free 0.264
|
|
7LZD
Crystal Structure of SETD2 bound to Compound 35
Deposited 2021-03-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
YHY N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide × 1
EDO 1,2-ETHANEDIOL × 9
DMS DIMETHYL SULFOXIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Potassium thiocyanate, 0.1 M HEPES pH 7.5, 24% w/v PEG 2000 MME
|
Resolution 1.80 Å
R-free 0.218
|
|
7LZF
Crystal Structure of SETD2 bound to Compound 57
Deposited 2021-03-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
YHV 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Potassium thiocyanate, 0.1 M Tris pH 7.5, 18% w/v PEG 2000 MME
|
Resolution 2.47 Å
R-free 0.263
|
|
7TY2
Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
Deposited 2022-02-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
KS6 N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Potassium thiocyanate, 0.1 M HEPES 7.5, 18% w/v PEG 2000 MME
|
Resolution 2.44 Å
R-free 0.270
|
|
7TY3
Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
Deposited 2022-02-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1434–1711(278 aa)
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
KRF N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M Potassium thiocyanate, 0.1 M Tris pH 7.5, 18% w/v PEG 2000 MME
|
Resolution 2.30 Å
R-free 0.270
|
|
8Q5P
Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1
Deposited 2023-08-09
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1433–1711(279 aa)
Fragment:UNP residues 1433-1711
|
Not recorded
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.1M TRIS pH 8.5, 16%w/v PEG 10000
|
Resolution 1.81 Å
R-free 0.246
|
|
8RZU
Structure of human SETD2 L1609P mutant in complex with SAM and H3K36M peptide
Deposited 2024-02-13
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1433–1711(279 aa)
|
Mutation:L1609P
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;32% w/v PEG 4K, 100mM Tris, 800mM LiCl, pH 8.5
|
Resolution 2.19 Å
R-free 0.264
|
|
9EGZ
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-nucleosome, bp +27
Deposited 2024-11-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 32
PDB declaration: 35-meric
|
Chain l
1435–2564(1130 aa)
|
Not recorded
|
ZN ZINC ION × 12
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.90 Å
|
|
9EH0
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-nucleosome, 30 bp upstream
Deposited 2024-11-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 32
PDB declaration: 35-meric
|
Chain l
1435–2564(1130 aa)
|
Not recorded
|
ZN ZINC ION × 9
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å
|
|
9EH1
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-nucleosome, 20 bp upstream
Deposited 2024-11-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 32
PDB declaration: 35-meric
|
Chain l
1452–2040(589 aa)
|
Not recorded
|
ZN ZINC ION × 9
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å
|
|
9EH2
RNA polymerase II-DSIF-SPT6-PAF1c-TFIIS-IWS1-SETD2-FACT nucleosome upstream
Deposited 2024-11-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 32
PDB declaration: 35-meric
|
Chain l
1435–2564(1130 aa)
|
Not recorded
|
ZN ZINC ION × 9
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.10 Å
|
|
9G4A
Structure of human SETD2 T1663M mutant in complex with SAM and H3K36M peptide
Deposited 2024-07-15
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1433–1711(279 aa)
|
Mutation:T1663M
|
ZN ZINC ION × 3
SAM S-ADENOSYLMETHIONINE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 8.5;293 K;32% w/v PEG 4K, 100mM Tris, 800mM LiCl
|
Resolution 1.65 Å
R-free 0.241
|
|
9GW2
State 2 MAP 1 SETD2 bound to proximal H3 of upstream nucleosome
Deposited 2024-09-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 10
PDB declaration: 12-meric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.84 Å
|
|
9HGG
SETD2 peptide bound to SPOP MATH domain
Deposited 2024-11-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
1363–1379(17 aa)
|
Not recorded
|
MG MAGNESIUM ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;291 K;10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.1 M MES/imidazole pH 6.5
|
Resolution 1.90 Å
R-free 0.256
|
|
9RTN
State 2 MAP 2 SPT6 with SETD2
Deposited 2025-07-03
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 5
PDB declaration: pentameric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.82 Å
|
|
9RZC
State 3 MAP 1 SETD2 bound to distal H3 of upstream nucleosome
Deposited 2025-07-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 10
PDB declaration: 12-meric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.66 Å
|
|
9RZD
State 3 MAP 2 SPT6 with SETD2
Deposited 2025-07-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 5
PDB declaration: pentameric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.69 Å
|
|
9RZE
State 2 MAP 3 RNA Pol II activated elongation complex with SETD2 bound to proximal upstream H3
Deposited 2025-07-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 31
PDB declaration: 34-meric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
ZN ZINC ION × 9
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 8.53 Å
|
|
9S0U
State 3 MAP 3 RNA Pol II activated elongation complex with SETD2 bound to distal upstream H3
Deposited 2025-07-17
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 32
PDB declaration: 35-meric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
ZN ZINC ION × 9
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.72 Å
|
|
9S3G
State 1 MAP3 RNA Pol II activated elongation complex with SETD2 and upstream hexasome
Deposited 2025-07-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 31
PDB declaration: 34-meric
|
Chain O
1435–2564(1130 aa)
|
Not recorded
|
ZN ZINC ION × 9
MG MAGNESIUM ION × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.40 Å
|