BMRB Entry 16721

Name: Solution structure of BRD1 PHD1 finger
Published: 2012-08-03

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PDB ID: 2ku3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16721
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of BRD1 PHD1 finger

Deposition date:

2010-02-12

Original release date:

2012-08-03

Authors:

Zhang, Jiahai; Wu, Jihui; Shi, Yunyu

Citation:

Citation: Qin, Su; Zhang, Jiahai; Wu, Jihui; Shi, Yunyu. "Solution structure of BRD1 PHD1 finger" .

Assembly members:

Assembly members:
BRD1 PHD1 finger, polymer, 71 residues, 6966.939 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BRD1 PHD1 finger: MGHHHHHHMQSLIDEDAVCS ICMDGESQNSNVILFCDMCN LAVHQECYGVPYIPEGQWLC RHCLQSRARPA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	223
15N chemical shifts	65
1H chemical shifts	385

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BRD1 PHD1 finger	1
2	ZINC ION_1	2
3	ZINC ION_2	2

Entities:

Entity 1, BRD1 PHD1 finger 71 residues - 6966.939 Da.

1

MET

GLY

HIS

MET

GLN

2

SER

LEU

ILE

ASP

GLU

ASP

ALA

VAL

CYS

SER

3

ILE

CYS

MET

ASP

GLY

GLU

SER

GLN

ASN

SER

4

ASN

VAL

ILE

LEU

PHE

CYS

ASP

MET

CYS

ASN

5

LEU

ALA

VAL

HIS

GLN

GLU

CYS

TYR

GLY

VAL

6

PRO

TYR

ILE

PRO

GLU

GLY

GLN

TRP

LEU

CYS

7

ARG

HIS

CYS

LEU

GLN

SER

ARG

ALA

ARG

PRO

8

ALA

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: ZINC ION 2 mM; entity_1, [U-100% 13C; U-100% 15N], 1 mM; sodium chloride 150 mM; Bis-Tris 20 mM; H2O 90%; D2O 10%

sample_2: ZINC ION 2 mM; entity_1, [U-100% 13C; U-100% 15N], 1 mM; Bis-Tris 20 mM; sodium chloride 150 mM; D2O 100%

sample_conditions_1: ionic strength: 0.15 M; pH: 6.7; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 0.15 M; pD: 6.7; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_2

Software:

NMRPipe v2.2, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3, Goddard - chemical shift assignment, data analysis

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

TALOS, Cornilescu, Delaglio and Bax - processing

Molmol v2K.2, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

Bruker DMX 500 MHz

BMRB	17244
PDB	2KU3 2L43
REF	XP_009232775 XP_009232776 XP_009232777 XP_009232778 XP_009232779