BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	95.5 % (1022 of 1070)	95.5 % (549 of 575)	95.6 % (387 of 405)	95.6 % (86 of 90)
Backbone	95.5 % (504 of 528)	94.4 % (169 of 179)	96.2 % (255 of 265)	95.2 % (80 of 84)
Sidechain	95.9 % (601 of 627)	96.0 % (380 of 396)	95.6 % (215 of 225)	100.0 % (6 of 6)
Aromatic	100.0 % (30 of 30)	100.0 % (15 of 15)	100.0 % (15 of 15)
Methyl	100.0 % (74 of 74)	100.0 % (37 of 37)	100.0 % (37 of 37)

1. Brd4-ET domain

GSSGSSGESE EEDKCKPMSY EEKRQLSLDI NKLPGEKLGR VVHIIQSREP SLKNSNPDEI EIDFETLKPS TLRELERYVT SCLRKKRKPQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Brd4-ET domain	[U-100% 13C; U-100% 15N]	1.05 mM
2	sodium chloride	natural abundance	100 mM
3	TRIS	[U-2H]	20 mM
4	DTT	[U-2H]	1 mM
5	sodium azide	natural abundance	0.02 %

LACS Plot; CA

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.12 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: -0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2008-10-26

Citation

Solution structure of the extraterminal domain of the bromodomain-containing protein BRD4
Lin, Y., Umehara, T., Inoue, M., Saito, K., Kigawa, T., Jang, M., Ozato, K., Yokoyama, S., Padmanabhan, B., Guntert, P.
Protein Sci. (2008), 17, 2174-2179, PubMed 18815416 , DOI 10.1110/ps.037580.108 , Abstract

Related entities 1. monomer, : 1 : 9 : 67 entities Detail

Interaction partners 1. monomer, : 42 interactors Detail

More details for 42 interactors identified by 19 citations

Experiments performed 2 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15125_2jns.nef
Input source #2: Coordindates	2jns.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--------90
GSSGSSGESEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLKPSTLRELERYVTSCLRKKRKPQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSSGSSGESEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLKPSTLRELERYVTSCLRKKRKPQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	90	0	0	100.0

Content subtype: combined_15125_2jns.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1023		96.7 (chain: A, length: 90)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2280 (1)	noe	92.2 (chain: A, length: 90)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	107 (107)	.	75.6 (chain: A, length: 90)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 90, Sequence coverage: 96.7%
- Total number of assignments
  - ¹³C chemical shifts: 387
  - ¹H chemical shifts: 549
  - ¹⁵N chemical shifts: 87
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	405	387	95.6
¹H chemical shifts	575	549	95.5
¹⁵N chemical shifts	97	87	89.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	180	172	95.6
¹H chemical shifts	179	169	94.4
¹⁵N chemical shifts	84	80	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	225	215	95.6
¹H chemical shifts	396	380	96.0
¹⁵N chemical shifts	13	7	53.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	38	38	100.0
¹H chemical shifts	38	38	100.0

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

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 90, Sequence coverage: 92.2%
- Total number of restraints: 2274
- Weight of restraints: 1.0 (2274)
- Potential type of restraints: upper-bound-parabolic (2274)
- Range of distance target values: 2.35, 5.5 (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: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 90, Sequence coverage: 75.6%
- Total number of restraints: 107
- Total number of restraints per polymer type: 107
- Weight of restraints: 1.0 (107)
- Potential type of restraints: square-well-parabolic (107)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Bromodomain containing protein 4, ET-domain

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Found 1 Document (1.99 seconds)

BMRB: 15125

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. monomer, : 1 : 9 : 67 entities Detail

Interaction partners 1. monomer, : 42 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail