BMRB: 16285

Solution structure of a PDZ protein

Authors

Durney, M.A., Anklin, C., Soni, A., Birrane, G., Ladias, J.A.A.

Assembly

PDZ protein

Entity

1. PDZ protein (polymer, Thiol state: not present), 124 monomers, 13660.40 Da Detail

GSYIPGQPVT AVVQRVEIHK LRQGENLILG FSIGGGIDQD PSQNPFSEDK TDKGIYVTRV SEGGPAEIAG LQIGDKIMQV NGWDMTMVTH DQARKRLTKR SEEVVRLLVT RQSLQKAVQQ SMLS

Formula weight

13660.4 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 79.7 %, Completeness (bb): 89.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	79.7 % (1139 of 1429)	78.0 % (584 of 749)	79.3 % (432 of 545)	91.1 % (123 of 135)
Backbone	89.6 % (658 of 734)	91.8 % (235 of 256)	86.6 % (311 of 359)	94.1 % (112 of 119)
Sidechain	72.3 % (583 of 806)	71.0 % (350 of 493)	74.7 % (222 of 297)	68.8 % (11 of 16)
Aromatic	60.7 % (34 of 56)	60.7 % (17 of 28)	59.3 % (16 of 27)	100.0 % (1 of 1)
Methyl	77.8 % (112 of 144)	77.8 % (56 of 72)	77.8 % (56 of 72)

1. TIP-1

GSYIPGQPVT AVVQRVEIHK LRQGENLILG FSIGGGIDQD PSQNPFSEDK TDKGIYVTRV SEGGPAEIAG LQIGDKIMQV NGWDMTMVTH DQARKRLTKR SEEVVRLLVT RQSLQKAVQQ SMLS

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	TIP-1	[U-100% 13C; U-100% 15N]		1-2 (±0.25) mM
2	sodium phosphate	natural abundance		50 mM
3	NaCl	natural abundance		50 mM
4	EDTA	natural abundance		1 mM

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LACS Plot; CA

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TIP-1	carbon	0.0 ppm	internal	direct	1.0
1H	TIP-1	proton	4.7 ppm	internal	direct	1.0
15N	TIP-1	nitrogen	0.0 ppm	internal	direct	1.0

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LACS Plot; CB

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TIP-1	carbon	0.0 ppm	internal	direct	1.0
1H	TIP-1	proton	4.7 ppm	internal	direct	1.0
15N	TIP-1	nitrogen	0.0 ppm	internal	direct	1.0

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LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 3 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TIP-1	carbon	0.0 ppm	internal	direct	1.0
1H	TIP-1	proton	4.7 ppm	internal	direct	1.0
15N	TIP-1	nitrogen	0.0 ppm	internal	direct	1.0

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LACS Plot; CO

Referencing offset: 0.38 ppm, Outliers: 5 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	TIP-1	carbon	0.0 ppm	internal	direct	1.0
1H	TIP-1	proton	4.7 ppm	internal	direct	1.0
15N	TIP-1	nitrogen	0.0 ppm	internal	direct	1.0

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KG2, Strand ID: A Detail

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Release date

2012-08-05

Citation

Solution structure of a PDZ domain protein
Durney, M.A.
Not known

Related entities 1. PDZ protein, : 1 : 14 : 91 entities Detail

Interaction partners 1. PDZ protein, : 16 interactors Detail

Experiments performed 9 experiments Detail