BMRB: 17157

DNA repair protein zinc finger 1

Authors

Neuhaus, D., Eustermann, S., Yang, J., Videler, H.

Assembly

PARP-1 Finger 1

Entity

1. PARP-1 Finger 1 (polymer, Thiol state: all other bound), 108 monomers, 12110.61 Da Detail

MAESSDKLYR VEYAKSGRAS CKKCSESIPK DSLRMAIMVQ SPMFDGKVPH WYHFSCFWKV GHSIRHPDVE VDGFSELRWD DQQKVKKTAE AGGVTGKGQD GIGSKAEK

2. ZN (non-polymer), 65.409 Da

Total weight

12176.02 Da

Max. entity weight

12110.61 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS21:SG	2:ZN1:ZN
2	na	sing	1:CYS24:SG	2:ZN1:ZN
3	na	sing	1:HIS53:ND1	2:ZN1:ZN
4	na	sing	1:CYS56:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 88.3 %, Completeness (bb): 83.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	88.3 % (1107 of 1254)	94.7 % (624 of 659)	78.3 % (379 of 484)	93.7 % (104 of 111)
Backbone	83.3 % (533 of 640)	97.3 % (216 of 222)	68.8 % (216 of 314)	97.1 % (101 of 104)
Sidechain	94.0 % (669 of 712)	93.4 % (408 of 437)	96.3 % (258 of 268)	42.9 % (3 of 7)
Aromatic	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (55 of 55)	100.0 % (3 of 3)
Methyl	97.4 % (76 of 78)	97.4 % (38 of 39)	97.4 % (38 of 39)

1. PARP-1 Finger 1

MAESSDKLYR VEYAKSGRAS CKKCSESIPK DSLRMAIMVQ SPMFDGKVPH WYHFSCFWKV GHSIRHPDVE VDGFSELRWD DQQKVKKTAE AGGVTGKGQD GIGSKAEK

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PARP-1 Finger 1	[U-98% 15N; U-98% 13C]		0.5 ~ 1.0 mM
2	TRIS	[U-99% 2H]		50 mM
3	sodium chloride	natural abundance		200 mM
4	zinc sulfate	natural abundance		150 uM
5	DTT	[U-99% 2H]		4 mM
6	H2O	natural abundance		95 %
7	D2O	natural abundance		5 %
8	TRIS	[U-99% 2H]		50 mM

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LACS Plot; CA

Referencing offset: 0.14 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	external	direct	1.0
15N	TSP	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.14 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	external	direct	1.0
15N	TSP	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TSP	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	external	direct	1.0
15N	TSP	methyl protons	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 30 models in PDB: 2L30, Strand ID: A Detail

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Release date

2011-01-26

Citation

The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger
Eustermann, S., Videler, H., Yang, J., Cole, P.T., Gruszka, D., Veprintsev, D., Neuhaus, D.
J. Mol. Biol. (2011), 407, 149-170, PubMed 21262234 , DOI 10.1016/j.jmb.2011.01.034 , Abstract

Related entities 1. PARP-1 Finger 1, : 1 : 3 : 7 : 44 entities Detail

Interaction partners 1. PARP-1 Finger 1, : 182 interactors Detail

Experiments performed 14 experiments Detail