BMRBj - BMREntryMaster

Found 1 Document (3.517 seconds)

BMRB: 15150

2OSG

Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2

Authors

Wu, J.W., Yang, Y.S., Zhang, J.H., Ji, P., Wu, J.H., Shi, Y.Y.

Assembly

ZO2PDZ2 homodimer

Entity

1. ZO2PDZ2 homodimer (polymer, Thiol state: not present), 83 monomers, 9258.725 × 2 Da Detail

MIGVLLMKSR ANEEYGLRLG SQIFVKEMTR TGLATKDGNL HEGDIILKIN GTVTENMSLT DARKLIEKSR GKLQLVVLRD SLE

Total weight

18517.45 Da

Max. entity weight

9258.725 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 83.0 %, Completeness (bb): 89.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.0 % (807 of 972)	78.5 % (399 of 508)	85.9 % (322 of 375)	96.6 % (86 of 89)
Backbone	89.6 % (446 of 498)	83.3 % (145 of 174)	91.7 % (221 of 241)	96.4 % (80 of 83)
Sidechain	78.5 % (431 of 549)	76.0 % (254 of 334)	81.8 % (171 of 209)	100.0 % (6 of 6)
Aromatic	45.5 % (10 of 22)	90.9 % (10 of 11)	0.0 % (0 of 11)
Methyl	89.5 % (102 of 114)	86.0 % (49 of 57)	93.0 % (53 of 57)

1. ZO2PDZ2

MIGVLLMKSR ANEEYGLRLG SQIFVKEMTR TGLATKDGNL HEGDIILKIN GTVTENMSLT DARKLIEKSR GKLQLVVLRD SLE

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	ZO2PDZ2	natural abundance	0.8 (±0.1) mM
2	phosphate buffer	natural abundance	20 mM
3	NaCl	natural abundance	50 mM
4	EDTA	natural abundance	1 mM

Sample #2

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM 15N-labeled ZO2PDZ2 domain, 20mM phosphate buffer(pH 6.5), 50mM NaCl, 1mM EDTA, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
5	ZO2PDZ2	[U-100% 15N]	0.8 (±0.1) mM
6	phosphate buffer	natural abundance	20 mM
7	NaCl	natural abundance	50 mM
8	EDTA	natural abundance	1 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
13	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
14	phosphate buffer	natural abundance	20 mM
15	NaCl	natural abundance	50 mM
16	EDTA	natural abundance	1 mM

Sample #5

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.4mM ZO2PDZ2 domain,0.4mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
17	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.4 (±0.05) mM
18	ZO2PDZ2	natural abundance	0.4 (±0.05) mM
19	phosphate buffer	natural abundance	20 mM
20	NaCl	natural abundance	50 mM
21	EDTA	natural abundance	1 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.661 ppm	internal	indirect	0.2514495
¹H	water	protons	4.661 ppm	internal	direct	1.0
¹⁵N	water	protons	4.661 ppm	internal	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.661 ppm	internal	indirect	0.2514495
¹H	water	protons	4.661 ppm	internal	direct	1.0
¹⁵N	water	protons	4.661 ppm	internal	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.661 ppm	internal	indirect	0.2514495
¹H	water	protons	4.661 ppm	internal	direct	1.0
¹⁵N	water	protons	4.661 ppm	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.661 ppm	internal	indirect	0.2514495
¹H	water	protons	4.661 ppm	internal	direct	1.0
¹⁵N	water	protons	4.661 ppm	internal	indirect	0.1013291

Referencing offset: 0.16 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2007-10-23

Citation

Domain-swapped dimerization of the second PDZ domain of ZO2 may provide a structural basis for the polymerization of claudins
Wu, J.W., Yang, Y.S., Zhang, J.H., Ji, P., Du, W., Jiang, P., Xie, D., Huang, H., Wu, M., Zhang, G., Wu, J.H., Shi, Y.Y.
J. Biol. Chem. (2007), 282, 35988-35999, PubMed 17897942 , DOI 10.1074/jbc.M703826200 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: Q9UDY2 released on 2001-04-27
Title ZO2_HUMAN Entity Tight junction protein ZO-2

Related entities 1. ZO2PDZ2 homodimer, : 1 : 3 : 124 entities Detail

Interaction partners 1. ZO2PDZ2 homodimer, : 46 interactors Detail

More details for 46 interactors identified by 21 citations

Experiments performed 18 experiments Detail

1 2D NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	ZO2PDZ2	natural abundance	0.8 (±0.1) mM
2	phosphate buffer	natural abundance	20 mM
3	NaCl	natural abundance	50 mM
4	EDTA	natural abundance	1 mM

2 2D TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
1	ZO2PDZ2	natural abundance	0.8 (±0.1) mM
2	phosphate buffer	natural abundance	20 mM
3	NaCl	natural abundance	50 mM
4	EDTA	natural abundance	1 mM

3 3D_15N-separated_NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM 15N-labeled ZO2PDZ2 domain, 20mM phosphate buffer(pH 6.5), 50mM NaCl, 1mM EDTA, 90% H2O, 10% D2O

#	Name	Isotope labeling	Concentration
5	ZO2PDZ2	[U-100% 15N]	0.8 (±0.1) mM
6	phosphate buffer	natural abundance	20 mM
7	NaCl	natural abundance	50 mM
8	EDTA	natural abundance	1 mM

4 3D_13C-separated_NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.8mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
13	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
14	phosphate buffer	natural abundance	20 mM
15	NaCl	natural abundance	50 mM
16	EDTA	natural abundance	1 mM

5 3D_13C F1-filtered,F3-edited NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.5, Details 0.4mM ZO2PDZ2 domain,0.4mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
17	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.4 (±0.05) mM
18	ZO2PDZ2	natural abundance	0.4 (±0.05) mM
19	phosphate buffer	natural abundance	20 mM
20	NaCl	natural abundance	50 mM
21	EDTA	natural abundance	1 mM

6 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, Details 0.8mM 15N, 13C-labeled ZO2PDZ2 domain, 20mM phosphate buffer (pH 6.5), 50mM NaCl, 1mM EDTA, 100% D2O

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

7 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

8 3D C(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

9 3D H(CCO)NH

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

10 3D HBHA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

11 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	ZO2PDZ2	[U-100% 15N]	0.8 (±0.1) mM
6	phosphate buffer	natural abundance	20 mM
7	NaCl	natural abundance	50 mM
8	EDTA	natural abundance	1 mM

12 2D 1H-13C HSQC

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
13	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
14	phosphate buffer	natural abundance	20 mM
15	NaCl	natural abundance	50 mM
16	EDTA	natural abundance	1 mM

13 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

14 3D HCACO

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

15 3D HNCA

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

16 3D HN(CO)CA

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
10	phosphate buffer	natural abundance	20 mM
11	NaCl	natural abundance	50 mM
12	EDTA	natural abundance	1 mM

17 3D HCCH-COSY

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
13	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
14	phosphate buffer	natural abundance	20 mM
15	NaCl	natural abundance	50 mM
16	EDTA	natural abundance	1 mM

18 3D HCCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
13	ZO2PDZ2	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
14	phosphate buffer	natural abundance	20 mM
15	NaCl	natural abundance	50 mM
16	EDTA	natural abundance	1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15150_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr15150_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1024		100.0 (chain: 1, length: 83)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 83, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 595
  - ¹³C chemical shifts: 343
  - ¹⁵N chemical shifts: 86
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	508	479	94.3
¹³C chemical shifts	375	343	91.5
¹⁵N chemical shifts	95	86	90.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	174	171	98.3
¹³C chemical shifts	166	164	98.8
¹⁵N chemical shifts	83	80	96.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	334	308	92.2
¹³C chemical shifts	209	179	85.6
¹⁵N chemical shifts	12	6	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	58	95.1
¹³C chemical shifts	61	53	86.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	11	10	90.9
¹³C chemical shifts	11	0	0.0

Keywords DOMAIN SWAPPING, HOMODIMER, NMR STRUCTURE, PDZ DOMAIN, TIGHT JUNCTION, ZO-2

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Found 1 Document (3.517 seconds)

BMRB: 15150

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. ZO2PDZ2 homodimer, : 1 : 3 : 124 entities Detail

Interaction partners 1. ZO2PDZ2 homodimer, : 46 interactors Detail

Experiments performed 18 experiments Detail

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Chemical shift validation 3 contents Detail