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Solution structure of CHD4-PHD2 in complex with H3K9me3
Authors
Mansfield, R.E., Kwan, A.H., Mackay, J.P.
Assembly
CHD4-PHD2/H3K9me3 complex
Entity
1. CHD4-PHD2 (polymer, Thiol state: all other bound), 61 monomers, 6680.715 Da Detail

GPLGSDHHME FCRVCKDGGE LLCCDTCPSS YHIHCLNPPL PEIPNGEWLC PRCTCPALKG K


2. H3K9me3 (polymer, Thiol state: not present), 14 monomers, 1567.769 Da Detail

ARTKQTARXS TGGY


3. ZN (non-polymer), 65.409 × 2 Da
Total weight
8379.303 Da
Max. entity weight
6680.715 Da
Entity Connection
na 8 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1nasing1:CYS12:SG3:ZN1:ZN
2nasing1:CYS15:SG3:ZN1:ZN
3nasing1:HIS32:ND13:ZN1:ZN
4nasing1:CYS35:SG3:ZN1:ZN
5nasing1:CYS24:SG3:ZN1:ZN
6nasing1:CYS27:SG3:ZN1:ZN
7nasing1:CYS50:SG3:ZN1:ZN
8nasing1:CYS53:SG3:ZN1:ZN

Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 97.3 %, Completeness: 87.6 %, Completeness (bb): 85.3 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All87.6 % (713 of 814)95.6 % (408 of 427)78.9 % (250 of 317)78.6 % (55 of 70)
Backbone85.3 % (365 of 428)95.9 % (142 of 148)79.9 % (171 of 214)78.8 % (52 of 66)
Sidechain89.2 % (403 of 452)95.3 % (266 of 279)79.3 % (134 of 169)75.0 % (3 of 4)
Aromatic66.7 % (36 of 54)81.5 % (22 of 27)50.0 % (13 of 26)100.0 % (1 of 1)
Methyl92.9 % (52 of 56)100.0 % (28 of 28)85.7 % (24 of 28)

1. CHD4-PHD2

GPLGSDHHME FCRVCKDGGE LLCCDTCPSS YHIHCLNPPL PEIPNGEWLC PRCTCPALKG K

2. H3K9me3

ARTKQTARXS TGGY

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
1CHD4-PHD2natural abundance1 mM
2H3K9me3natural abundance1 mM
3DSSnatural abundance20 uM
4DTTnatural abundance1 mM
5sodium chloridenatural abundance5 mM
6sodium phosphatenatural abundance10 mM
7H2Onatural abundance93 %
8D2Onatural abundance7 %
Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
9CHD4-PHD2[U-100% 13C; U-100% 15N]1 mM
10H3K9me3natural abundance1.1 mM
11DSSnatural abundance20 uM
12DTTnatural abundance1 mM
13sodium chloridenatural abundance5 mM
14sodium phosphatenatural abundance10 mM
15H2Onatural abundance93 %
16D2Onatural abundance7 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7


#NameIsotope labelingTypeConcentration
17CHD4-PHD2[U-100% 13C; U-100% 15N]1 mM
18H3K9me3natural abundance1.1 mM
19DSSnatural abundance20 uM
20DTTnatural abundance1 mM
21sodium chloridenatural abundance5 mM
22sodium phosphatenatural abundance10 mM
23H2Onatural abundance93 %
24D2Onatural abundance7 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2L75, Strand ID: A, B Detail


Release date
2011-01-31
Citation
Plant homeodomain (PHD) fingers of CHD4 are histone H3-binding modules with preference for unmodified H3K4 and methylated H3K9
Mansfield, R.E., Musselman, C.A., Kwan, A.H., Oliver, S.S., Garske, A.L., Davrazou, F., Denu, J.M., Kutateladze, T.G., Mackay, J.P.
J. Biol. Chem. (2011), 286, 11779-11791, PubMed 21278251 , DOI 10.1074/jbc.M110.208207 ,
Entries sharing articles BMRB: 1 entries Detail
  BMRB: 17285 released on 2011-01-31
    Title Structure of the first PHD finger (PHD1) from CHD4 (Mi2b).
Related entities 1. CHD4-PHD2, : 6 : 89 entities Detail
Related entities 2. H3K9me3, : 99 : 1 entities Detail
Interaction partners 1. CHD4-PHD2, : 69 interactors Detail
Interaction partners 2. H3K9me3, : 2 interactors Detail
Experiments performed 21 experiments Detail
nullKeywords CHD4, H3, histone, PHD, H3K9me3, Mi2b, PHD2