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1H, 13C and 15N resonance assignment and secondary structure of the C-terminal domain of the human centrin 2 in complex with a 17 residue peptide from Xeroderma Pigmentosum group C protein
Authors
Miron, S., Yang, A., Blouquit, Y., Duchambon, P., Craescu, C.T.
Assembly
C-terminal domain of human centrin 2-Ca2+ - P1-XPC Peptide Complex
Entity
1. C-terminal domain of human centrin 2 (polymer, Thiol state: not present), 79 monomers, 9220.201 Da Detail

TQKMSEKDTK EEILKAFKLF DDDETGKISF KNLKRVAKEL GENLTDEELQ EMIDEADRDG DGEVSEQEFL RIMKKTSLY


2. P1-XPC peptide (polymer), 17 monomers, 2107.590 Da Detail

NWKLLAKGLL IRERLKR


3. CA (non-polymer), 40.078 Da
Total weight
11367.869 Da
Max. entity weight
9220.201 Da
Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 83.3 %, Completeness: 70.9 %, Completeness (bb): 69.6 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All70.9 % (840 of 1185)79.4 % (500 of 630)56.9 % (257 of 452)80.6 % (83 of 103)
Backbone69.6 % (401 of 576)82.2 % (162 of 197)56.5 % (160 of 283)82.3 % (79 of 96)
Sidechain73.3 % (513 of 700)78.1 % (338 of 433)65.8 % (171 of 260)57.1 % (4 of 7)
Aromatic40.0 % (24 of 60)80.0 % (24 of 30) 0.0 % (0 of 29) 0.0 % (0 of 1)
Methyl73.5 % (72 of 98)73.5 % (36 of 49)73.5 % (36 of 49)

1. C-terminal domain of human centrin 2

TQKMSEKDTK EEILKAFKLF DDDETGKISF KNLKRVAKEL GENLTDEELQ EMIDEADRDG DGEVSEQEFL RIMKKTSLY

2. P1-XPC peptide

NWKLLAKGLL IRERLKR

Sample #1

Temperature 308 (±1) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
1C-terminal domain of human centrin 21.2 mM
2P1-XPC peptide1.2 mM
3H2O93 %
4D2O7 %
Sample #2

Temperature 308 (±1) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
5C-terminal domain of human centrin 2[U-15N]1.2 mM
6P1-XPC peptide[U-15N]1.2 mM
7H2O93 %
8D2O7 %
Sample #3

Temperature 308 (±1) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
9C-terminal domain of human centrin 2[U-13C; U-15N]1.2 mM
10P1-XPC peptide[U-13C; U-15N]1.2 mM
11H2O93 %
12D2O7 %

Chem. Shift Complete2
Sequence coverage: 32.3 %, Completeness: 41.1 %, Completeness (bb): 41.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All41.1 % (975 of 2370)46.6 % (587 of 1260)31.9 % (288 of 904)48.5 % (100 of 206)
Backbone41.4 % (477 of 1152)52.0 % (205 of 394)31.3 % (177 of 566)49.5 % (95 of 192)
Sidechain41.4 % (580 of 1400)44.1 % (382 of 866)37.1 % (193 of 520)35.7 % (5 of 14)
Aromatic25.0 % (30 of 120)50.0 % (30 of 60) 0.0 % (0 of 58) 0.0 % (0 of 2)
Methyl41.8 % (82 of 196)42.9 % (42 of 98)40.8 % (40 of 98)

1. C-terminal domain of human centrin 2

TQKMSEKDTK EEILKAFKLF DDDETGKISF KNLKRVAKEL GENLTDEELQ EMIDEADRDG DGEVSEQEFL RIMKKTSLY

2. P1-XPC peptide

NWKLLAKGLL IRERLKR

Sample #1

Temperature 308 (±1) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
1C-terminal domain of human centrin 21.2 mM
2P1-XPC peptide1.2 mM
3H2O93 %
4D2O7 %
Sample #2

Temperature 308 (±1) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
5C-terminal domain of human centrin 2[U-15N]1.2 mM
6P1-XPC peptide[U-15N]1.2 mM
7H2O93 %
8D2O7 %
Sample #3

Temperature 308 (±1) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
9C-terminal domain of human centrin 2[U-13C; U-15N]1.2 mM
10P1-XPC peptide[U-13C; U-15N]1.2 mM
11H2O93 %
12D2O7 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2A4J, Strand ID: A, B Detail


Release date
2004-05-14
Citation
Xeroderma pigmentosum group C protein possesses a high affinity binding site to human centrin 2 and calmodulin
Miron, S., Yang, A., Blouquit, Y., Duchambon, P., Craescu, C.T.
J. Biol. Chem. (2003), 278, 40252-40261, PubMed 12890685 , DOI 10.1074/jbc.M302546200 ,
Related entities 1. C-terminal domain of human centrin 2, : 1 : 3 : 3 : 2 : 359 entities Detail
Related entities 2. P1-XPC peptide, : 1 : 4 : 8 entities Detail
Interaction partners 2. P1-XPC peptide, : 26 interactors Detail
Experiments performed 9 experiments Detail
nullKeywords NMR, nuclear magnetic resonance, human centrin 2, resonance assignment, xeroderma pigmentosum group C protein