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BMRB: 16989

2KYX

Solution structure of the RRM domain of CYP33

Authors

Park, S., Bushweller, J.H.

Assembly

CYP33

Entity

1. CYP33 (polymer, Thiol state: not present), 83 monomers, 9201.209 Da Detail

GSTTKRVLYV GGLAEEVDDK VLHAAFIPFG DITDIQIPLD YETEKHRGFA FVEFELAEDA AAAIDNMNES ELFGRTIRVN LAK

Formula weight

9201.209 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 88.8 %, Completeness (bb): 95.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (840 of 946)	89.5 % (433 of 484)	87.0 % (328 of 377)	92.9 % (79 of 85)
Backbone	95.1 % (470 of 494)	95.3 % (162 of 170)	94.2 % (229 of 243)	97.5 % (79 of 81)
Sidechain	83.9 % (444 of 529)	86.3 % (271 of 314)	82.0 % (173 of 211)	0.0 % (0 of 4)
Aromatic	59.5 % (50 of 84)	83.3 % (35 of 42)	35.7 % (15 of 42)
Methyl	95.3 % (101 of 106)	96.2 % (51 of 53)	94.3 % (50 of 53)

1. CYP33

GSTTKRVLYV GGLAEEVDDK VLHAAFIPFG DITDIQIPLD YETEKHRGFA FVEFELAEDA AAAIDNMNES ELFGRTIRVN LAK

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

LACS Plot; CA

Referencing offset: -0.27 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.27 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KYX, Strand ID: A Detail

Release date

2010-08-11

Citation

The PHD3 domain of MLL acts as a CYP33-regulated switch between MLL-mediated activation and repression
Park, S., Osmers, U., Raman, G., Schwantes, R.H., Diaz, M.O., Bushweller, J.H.
Biochemistry (2010), 49, 6576-6586, PubMed 20677832 , DOI 10.1021/bi1009387 , Abstract

Related entities 1. CYP33, : 1 : 399 entities Detail

Interaction partners 1. CYP33, : 16 interactors Detail

More details for 16 interactors identified by 7 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

4 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

5 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

6 3D HNCAB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

7 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

9 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

11 3D TROSY_HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

12 3D TROSY_HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		25 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		1 mM
4	sodium azide	natural abundance		1 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16989_2kyx.nef
Input source #2: Coordindates	2kyx.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80---
GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSTTKRVLYVGGLAEEVDDKVLHAAFIPFGDITDIQIPLDYETEKHRGFAFVEFELAEDAAAAIDNMNESELFGRTIRVNLAK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	83	0	0	100.0

Content subtype: combined_16989_2kyx.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	843		97.6 (chain: A, length: 83)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2628 (1)	noe	96.4 (chain: A, length: 83)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	74 (74)	.	61.4 (chain: A, length: 83)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_4	OK	189 (189)	.	91.6 (chain: A, length: 83)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 97.6%
- Total number of assignments
  - ¹H chemical shifts: 436
  - ¹³C chemical shifts: 330
  - ¹⁵N chemical shifts: 77
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 96.4%
- Total number of restraints: 2563
- Weight of restraints: 1.0 (2563)
- Potential type of restraints: square-well-parabolic (2563)
- Range of distance target values: 2.3, 4.2 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 61.4%
- Total number of restraints: 74
- Total number of restraints per polymer type: 74
- Weight of restraints: 1.0 (74)
- Potential type of restraints: square-well-parabolic (74)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 91.6%
- Total number of restraints: 189
- Potential type of restraints: undefined (189)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords CYP33, RRM