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Found 1 Document (7.121 seconds)

BMRB: 16871

2JWE

Solution structure of the second PDZ domain from human zonula occludens-1: A dimeric form with 3D domain swapping

Authors

Ji, P., wu, J., Zhang, J., Yang, Y., wu, J., Shi, Y.

Assembly

ZO-1 PDZ2

Entity

1. ZO-1 PDZ2 (polymer, Thiol state: not present), 88 monomers, 10010.26 Da Detail

TKVTLVKSRK NEEYGLRLAS HIFVKEISQD SLAARDGNIQ EGDVVLKING TVTENMSLTD AKTLIERSKG KLKMVVQRDE LEHHHHHH

Formula weight

10010.26 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 91.0 %, Completeness (bb): 92.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.0 % (937 of 1030)	91.6 % (492 of 537)	89.7 % (357 of 398)	92.6 % (88 of 95)
Backbone	92.0 % (486 of 528)	92.8 % (168 of 181)	91.5 % (237 of 259)	92.0 % (81 of 88)
Sidechain	90.3 % (528 of 585)	91.0 % (324 of 356)	88.7 % (197 of 222)	100.0 % (7 of 7)
Aromatic	32.6 % (15 of 46)	43.5 % (10 of 23)	21.7 % (5 of 23)
Methyl	100.0 % (108 of 108)	100.0 % (54 of 54)	100.0 % (54 of 54)

1. ZO-1 PDZ2

TKVTLVKSRK NEEYGLRLAS HIFVKEISQD SLAARDGNIQ EGDVVLKING TVTENMSLTD AKTLIERSKG KLKMVVQRDE LEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	PDZ2	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
5	D2O	natural abundance		100 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	PDZ2	[U-99% 13C; U-99% 15N]	0.4 ~ 0.5 mM
7	PDZ2	natural abundance	0.5 ~ 0.8 mM
8	D2O	natural abundance	100 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
9	PDZ2	natural abundance		0.5 ~ 0.8 mM
10	D2O	natural abundance		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.24 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JWE, Strand ID: A, B Detail

Release date

2011-05-04

Citation

Solution structure of the second PDZ domain of Zonula Occludens 1
Ji, P., Yang, G., Zhang, J., Wu, J., Chen, Z., Gong, Q., Wu, J., Shi, Y.
Proteins (2011), 79, 1342-1346, PubMed 21387411 , DOI 10.1002/prot.22955 , Abstract

Related entities 1. ZO-1 PDZ2, : 1 : 7 : 122 entities Detail

Interaction partners 1. ZO-1 PDZ2, : 32 interactors Detail

More details for 32 interactors identified by 15 citations

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

2 3D CBCA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

3 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

4 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

5 3D HN(CA)CO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

6 3D HBHA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

7 3D H(CCO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

8 3D C(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

9 3D 1H-15N NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

10 3D HCCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	PDZ2	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
5	D2O	natural abundance		100 %

11 3D HCCH-COSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	PDZ2	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
5	D2O	natural abundance		100 %

12 3D 1H-13C NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	PDZ2	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
5	D2O	natural abundance		100 %

13 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	PDZ2	[U-99% 13C; U-99% 15N]	0.4 ~ 0.5 mM
7	PDZ2	natural abundance	0.5 ~ 0.8 mM
8	D2O	natural abundance	100 %

14 2D 1H-1H 13C-Filtered NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	PDZ2	[U-99% 13C; U-99% 15N]	0.4 ~ 0.5 mM
7	PDZ2	natural abundance	0.5 ~ 0.8 mM
8	D2O	natural abundance	100 %

15 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
4	PDZ2	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
5	D2O	natural abundance		100 %

16 2D 1H-1H TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
9	PDZ2	natural abundance		0.5 ~ 0.8 mM
10	D2O	natural abundance		100 %

17 2D 1H-1H NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
9	PDZ2	natural abundance		0.5 ~ 0.8 mM
10	D2O	natural abundance		100 %

18 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PDZ2	[U-99% 13C; U-99% 15N]	0.8 ~ 1.0 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

nullKeywords domain swapping, NMR, PDZ, TER, tight junction, ZO1, dimer, TJP1, ZO-1

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Found 1 Document (7.121 seconds)

BMRB: 16871

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. ZO-1 PDZ2, : 1 : 7 : 122 entities Detail

Interaction partners 1. ZO-1 PDZ2, : 32 interactors Detail

Experiments performed 18 experiments Detail

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