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Solution sturcture of human MEKK3 PB1 domain cis isomer
Authors
Qi, H., Jiahai, Z., Jihui, W., Yunyu, S.
Assembly
MEKK3 PB1-cis
Entity
1. MEKK3 PB1-cis (polymer, Thiol state: not present), 94 monomers, 11164.52 Da Detail

MQSDVRIKFE HNGERRIIAF SRPVKYEDVE HKVTTVFGQP LDLHYMNNEL SILLKNQDDL DKAIDILDRS SSMKSLRILL LSQDRNLEHH HHHH


Formula weight
11164.52 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 91.5 %, Completeness: 83.5 %, Completeness (bb): 88.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All83.5 % (953 of 1142)85.3 % (511 of 599)79.2 % (350 of 442)91.1 % (92 of 101)
Backbone88.4 % (495 of 560)88.3 % (166 of 188)87.9 % (246 of 280)90.2 % (83 of 92)
Sidechain80.1 % (540 of 674)83.9 % (345 of 411)73.2 % (186 of 254)100.0 % (9 of 9)
Aromatic25.6 % (21 of 82)51.2 % (21 of 41) 0.0 % (0 of 41)
Methyl93.3 % (97 of 104)92.3 % (48 of 52)94.2 % (49 of 52)

1. MEKK3 PB1-cis

MQSDVRIKFE HNGERRIIAF SRPVKYEDVE HKVTTVFGQP LDLHYMNNEL SILLKNQDDL DKAIDILDRS SSMKSLRILL LSQDRNLEHH HHHH

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5mM 15N,13C-labeled MEKK3 PB1 50mM phosphate buffer (pH 6.0), 1mM EDTA,10%(v/v) D2O


#NameIsotope labelingTypeConcentration
1MEKK3 PB1-cis[U-100% 13C; U-100% 15N]0.5 mM
2phosphate buffer50 mM
3EDTA1 mM
4H2O90 %
5D2O10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5mM 15N,13C-labeled MEKK3 PB1 50mM phosphate buffer (pH 6.0), 1mM EDTA,10%(v/v) D2O


#NameIsotope labelingTypeConcentration
6MEKK3 PB1-cis[U-100% 15N]0.8 mM
7phosphate buffer50 mM
8EDTA1 mM
9H2O90 %
10D2O10 %

LACS Plot; CA
Referencing offset: -0.09 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.09 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.01 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.24 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2JRH, Strand ID: A Detail


Release date
2007-10-28
Citation
Insight into the binding properties of MEKK3 PB1 to MEK5 PB1 from its solution structure
Qi, H., Weiqun, S., Hongda, H., Jiangxin, L., Jiahai, Z., Xiaojuan, H., Jihui, W., Yunyu, S.
Biochemistry (2007), 46, 13478-13489, PubMed 17985933 , DOI 10.1021/bi701341n ,
Related entities 1. MEKK3 PB1-cis, : 1 : 1 : 5 : 18 entities Detail
Interaction partners 1. MEKK3 PB1-cis, : 180 interactors Detail
Experiments performed 10 experiments Detail
NMR combined restraints 5 contents Detail
Keywords kinase signaling domain