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Found 1 Document (2.653 seconds)

BMRB: 16014

2KA4

Structure of protein complex

Authors

Wojciak, J.M., Martinez-Yamout, M.A., Dyson, H.J., Wright, P.E.

Assembly

TAZ1/STAT2 complex

Entity

1. TAZ1 (polymer, Thiol state: free and other bound), 100 monomers, 11256.98 Da Detail

ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR

2. STAT2 (polymer, Thiol state: not present), 57 monomers, 6423.138 Da Detail

GSHMVPEPDL PHDLRHLNTE PMEIFRNSVK IEEIMPNGDP LLAGQNTVDE VYVSRPS

3. ZN (non-polymer), 65.409 × 3 Da

Total weight

17876.346 Da

Max. entity weight

11256.98 Da

Source organism

Mus musculus , Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.3 %, Completeness (bb): 81.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.3 % (1574 of 1803)	93.8 % (891 of 950)	77.5 % (534 of 689)	90.9 % (149 of 164)
Backbone	81.5 % (748 of 918)	95.1 % (293 of 308)	69.2 % (322 of 465)	91.7 % (133 of 145)
Sidechain	94.4 % (978 of 1036)	93.3 % (599 of 642)	96.8 % (363 of 375)	84.2 % (16 of 19)
Aromatic	91.9 % (68 of 74)	97.3 % (36 of 37)	86.1 % (31 of 36)	100.0 % (1 of 1)
Methyl	100.0 % (156 of 156)	100.0 % (78 of 78)	100.0 % (78 of 78)

1. TAZ1

ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR

2. STAT2

GSHMVPEPDL PHDLRHLNTE PMEIFRNSVK IEEIMPNGDP LLAGQNTVDE VYVSRPS

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 305 K, pH 6.8

#	Name	Isotope labeling	Concentration
1	TAZ1	[U-100% 15N]	1 mM
2	STAT2	natural abundance
3	ZINC_ION	natural abundance
4	H2O	natural abundance	93 %
5	D2O	natural abundance	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KA4, Strand ID: A, B Detail

Release date

2009-02-15

Citation

Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains
Wojciak, J.M., Martinez-Yamout, M.A., Dyson, H.J., Wright, P.E.
EMBO J. (2009), 28, 948-958, PubMed 19214187 , DOI 10.1038/emboj.2009.30 , Abstract

Related entities 1. TAZ1, : 6 : 47 entities Detail

Related entities 2. STAT2, : 1 : 2 : 7 entities Detail

Interaction partners 1. TAZ1, : 78 interactors Detail

More details for 78 interactors identified by 53 citations

Interaction partners 2. STAT2, : 29 : 1 interactors Detail

More details for 30 interactors identified by 17 citations

Experiments performed 1 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_16014_2ka4.nef
Input source #2: Coordindates	2ka4.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:23:HIS:NE2	3:1:ZN:ZN	unknown	unknown	n/a
1:27:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:40:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:45:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
1:54:HIS:NE2	3:2:ZN:ZN	unknown	unknown	n/a
1:58:CYS:SG	3:2:ZN:ZN	unknown	unknown	n/a
1:64:CYS:SG	3:2:ZN:ZN	unknown	unknown	n/a
1:69:CYS:SG	3:2:ZN:ZN	unknown	unknown	n/a
1:78:HIS:NE2	3:3:ZN:ZN	unknown	unknown	n/a
1:82:CYS:SG	3:3:ZN:ZN	unknown	unknown	n/a
1:87:CYS:SG	3:3:ZN:ZN	unknown	unknown	n/a
1:90:CYS:SG	3:3:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
C	1	ZN	ZINC ION	None
C	2	ZN	ZINC ION	None
C	3	ZN	ZINC ION	None

Sequence alignments

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

340-----350-------360-------370-------380-------390-------400-------410-------420-------430---------
ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ATGPTADPEKRKLIQQQLVLLLHAHKCQRREQANGEVRACSLPHCRTMKNVLNHMTHCQAGKACQVAHCASSRQIISHWKNCTRHDCPVCLPLKNASDKR
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

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

------790-------800-------810-------820-------830--------
GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSHMVPEPDLPHDLRHLNTEPMEIFRNSVKIEEIMPNGDPLLAGQNTVDEVYVSRPS
--------10--------20--------30--------40--------50-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	100	0	0	100.0
B	B	57	0	0	100.0

Content subtype: combined_16014_2ka4.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	12		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1553		100.0 (chain: A, length: 100), 100.0 (chain: B, length: 57)
1	Distance restraints	AMBER_distance_constraints_2	Warning	3493 (1)	noe	97.0 (chain: A, length: 100), 89.5 (chain: B, length: 57)
1	Dihedral angle restraints	AMBER_dihedral_4	OK	206 (206)	.	73.0 (chain: A, length: 100), 47.4 (chain: B, length: 57)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 57, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 893
  - ¹³C chemical shifts: 515
  - ¹⁵N chemical shifts: 145
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Redox state of CYS
- 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
  - Chain_ID: B

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
411	SER	HG	5.478

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	607	564	92.9
¹³C chemical shifts	434	323	74.4
¹⁵N chemical shifts	117	98	83.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	198	190	96.0
¹³C chemical shifts	200	99	49.5
¹⁵N chemical shifts	95	87	91.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	409	374	91.4
¹³C chemical shifts	234	224	95.7
¹⁵N chemical shifts	22	11	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	51	100.0
¹³C chemical shifts	51	51	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	22	100.0
¹³C chemical shifts	21	21	100.0
¹⁵N chemical shifts	1	1	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	343	328	95.6
¹³C chemical shifts	255	192	75.3
¹⁵N chemical shifts	58	47	81.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	110	103	93.6
¹³C chemical shifts	114	57	50.0
¹⁵N chemical shifts	50	43	86.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	233	225	96.6
¹³C chemical shifts	141	135	95.7
¹⁵N chemical shifts	8	4	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	32	100.0
¹³C chemical shifts	32	32	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	14	93.3
¹³C chemical shifts	15	10	66.7

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: AMBER_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 97.0%
  - Entity_assembly_ID: B, Chain length: 57, Sequence coverage: 89.5%
- Total number of restraints: 3326
- Weight of restraints: 1.0 (3326)
- Potential type of restraints: square-well-parabolic (3326)
- Range of distance target values: 2.58, 5.31 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
    None
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: AMBER_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 100, Sequence coverage: 73.0%
  - Entity_assembly_ID: B, Chain length: 57, Sequence coverage: 47.4%
- Total number of restraints: 206
- Total number of restraints per polymer type: 206
- Weight of restraints: 1.0 (206)
- Potential type of restraints: square-well-parabolic (206)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords CBP/p300, STAT2, TAZ1, transactivation domain

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Found 1 Document (2.653 seconds)

BMRB: 16014

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. TAZ1, : 6 : 47 entities Detail

Related entities 2. STAT2, : 1 : 2 : 7 entities Detail

Interaction partners 1. TAZ1, : 78 interactors Detail

Interaction partners 2. STAT2, : 29 : 1 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 4 contents Detail