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Biological Magnetic Resonance Data Bank


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BMRB Entry 18296

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18296
MolProbity Validation Chart

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Title: Solution structure of BRD1 PHD2 finger   PubMed: 22820306

Deposition date: 2012-02-25 Original release date: 2012-10-22

Authors: Liu, Lei; Wu, Jihui

Citation: Liu, Lei; Qin, Su; Zhang, Jiahai; Ji, Peng; Shi, Yunyu; Wu, Jihui. "Solution structure of an atypical PHD finger in BRPF2 and its interaction with DNA."  J. Struct. Biol. 180, 165-173 (2012).

Assembly members:
entity_1, polymer, 87 residues, 8640.185 Da.
ZINC ION, non-polymer, 65.409 Da.

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

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

Entity Sequences (FASTA):
entity_1: MGHHHHHHMNIPPARWKLTC YLCKQKGVGASIQCHKANCY TAFHVTCAQKAGLYMKMEPV KELTGGGTTFSVRKTAYCDV HTPPGST

Data sets:
Data typeCount
13C chemical shifts289
15N chemical shifts77
1H chemical shifts521

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1BRD1_PHD2_finger1
2ZINC ION_12
3ZINC ION_22

Entities:

Entity 1, BRD1_PHD2_finger 87 residues - 8640.185 Da.

1   METGLYHISHISHISHISHISHISMETASN
2   ILEPROPROALAARGTRPLYSLEUTHRCYS
3   TYRLEUCYSLYSGLNLYSGLYVALGLYALA
4   SERILEGLNCYSHISLYSALAASNCYSTYR
5   THRALAPHEHISVALTHRCYSALAGLNLYS
6   ALAGLYLEUTYRMETLYSMETGLUPROVAL
7   LYSGLULEUTHRGLYGLYGLYTHRTHRPHE
8   SERVALARGLYSTHRALATYRCYSASPVAL
9   HISTHRPROPROGLYSERTHR

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: BRD1_PHD2_finger, [U-15N], 0.3 mM; H2O 90%; D2O 10%; NaCl 150 mM; Bis-tris methane 20 mM

sample_2: BRD1_PHD2_finger, [U-13C; U-15N], 0.4 mM; H2O 90%; D2O 10%; NaCl 150 mM; Bis-tris methane 20 mM

sample_3: BRD1_PHD2_finger, [U-13C; U-15N], 0.4 mM; D2O 100%; NaCl 150 mM; Bis-tris methane 20 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

PDB
DBJ BAF85117 BAG65531 BAG72478
EMBL CAG30294 CAK54399 CAK54698
GB AAF34320 AAH30007 AAH47508 EAW73473 EAW73474
REF NP_001291737 NP_001291738 XP_001111352 XP_001111383 XP_003280773
SP O95696

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts