BMRB: 6507

Complex structure of PCAF bromodomain with small chemical ligand NP2

Authors

Zeng, L., Li, J., Muller, M., Yan, S., Mujtaba, S., Pan, C., Wang, Z., Zhou, M.M.

Assembly

Histone acetylatransferase PCAF

Entity

1. Histone acetylatransferase PCAF (E.C.2.3.1.48) (polymer, Thiol state: not reported), 118 monomers, 14030.04 Da Detail

GSHMSKEPRD PDQLYSTLKS ILQQVKSHQS AWPFMEPVKR TEAPGYYEVI RFPMDLKTMS ERLKNRYYVS KKLFMADLQR VFTNCKEYNP PESEYYKCAN ILEKFFFSKI KEAGLIDK

2. CA (non-polymer), 40.078 Da
3. NPP (non-polymer), 395.433 Da

Total weight

14465.551 Da

Max. entity weight

14030.04 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 95.8 %, Completeness: 78.1 %, Completeness (bb): 79.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	78.1 % (1162 of 1487)	81.2 % (641 of 789)	71.6 % (414 of 578)	89.2 % (107 of 120)
Backbone	79.2 % (548 of 692)	91.8 % (212 of 231)	66.7 % (234 of 351)	92.7 % (102 of 110)
Sidechain	79.5 % (723 of 910)	76.9 % (429 of 558)	84.5 % (289 of 342)	50.0 % (5 of 10)
Aromatic	54.5 % (84 of 154)	59.7 % (46 of 77)	50.0 % (38 of 76)	0.0 % (0 of 1)
Methyl	98.9 % (93 of 94)	97.9 % (46 of 47)	100.0 % (47 of 47)

1. Histone acetylatransferase PCAF (E.C.2.3.1.48)

GSHMSKEPRD PDQLYSTLKS ILQQVKSHQS AWPFMEPVKR TEAPGYYEVI RFPMDLKTMS ERLKNRYYVS KKLFMADLQR VFTNCKEYNP PESEYYKCAN ILEKFFFSKI KEAGLIDK

Show sample condition

Sample

Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Histone acetylatransferase PCAF (E.C.2.3.1.48)			0.5 mM
2	phosphate buffer			100 mM
3	DTT			5 mM
4	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 28.8 %, Completeness: 46.6 %, Completeness (bb): 50.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	46.6 % (1385 of 2974)	47.6 % (751 of 1578)	43.1 % (498 of 1156)	56.7 % (136 of 240)
Backbone	50.5 % (699 of 1384)	57.1 % (264 of 462)	43.4 % (305 of 702)	59.1 % (130 of 220)
Sidechain	45.2 % (823 of 1820)	43.7 % (488 of 1116)	48.1 % (329 of 684)	30.0 % (6 of 20)
Aromatic	28.2 % (87 of 308)	31.2 % (48 of 154)	25.7 % (39 of 152)	0.0 % (0 of 2)
Methyl	56.4 % (106 of 188)	54.3 % (51 of 94)	58.5 % (55 of 94)

1. Histone acetylatransferase PCAF (E.C.2.3.1.48)

GSHMSKEPRD PDQLYSTLKS ILQQVKSHQS AWPFMEPVKR TEAPGYYEVI RFPMDLKTMS ERLKNRYYVS KKLFMADLQR VFTNCKEYNP PESEYYKCAN ILEKFFFSKI KEAGLIDK

Show sample condition

Sample

Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Histone acetylatransferase PCAF (E.C.2.3.1.48)			0.5 mM
2	phosphate buffer			100 mM
3	DTT			5 mM
4	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 1WUM, Strand ID: A Detail

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Release date

2005-08-18

Citation

Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
Zeng, L., Li, J., Muller, M., Yan, S., Mujtaba, S., Pan, C., Wang, Z., Zhou, M.M.
J. Am. Chem. Soc. (2005), 127, 2376-2377, PubMed 15724976 , DOI 10.1021/ja044885g , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Histone acetylatransferase PCAF (E.C.2.3.1.48), : 1 : 6 : 18 : 222 entities Detail

Interaction partners 1. Histone acetylatransferase PCAF (E.C.2.3.1.48), : 36 interactors Detail

Experiments performed 4 experiments Detail