BMRB: 11201

Solution structure of the fourth PDZ domain of KIAA1095 protein

Authors

Qin, X., Saito, K., Kigawa, T., Hayashi, F., Yokoyama, S.

Assembly

KIAA1095 protein

Entity

1. KIAA1095 protein (polymer, Thiol state: all free), 124 monomers, 13847.88 Da Detail

GSSGSSGDIH QEMDREELEL EEVDLYRMNS QDKLGLTVCY RTDDEDDIGI YISEIDPNSI AAKDGRIREG DRIIQINGIE VQNREEAVAL LTSEENKNFS LLIARPELQL DEGWMDDDSG PSSG

Formula weight

13847.88 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamic

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 98.5 %, Completeness (bb): 98.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	98.5 % (1353 of 1374)	97.8 % (702 of 718)	99.2 % (519 of 523)	99.2 % (132 of 133)
Backbone	98.1 % (724 of 738)	96.5 % (247 of 256)	98.9 % (357 of 361)	99.2 % (120 of 121)
Sidechain	99.1 % (742 of 749)	98.5 % (455 of 462)	100.0 % (275 of 275)	100.0 % (12 of 12)
Aromatic	100.0 % (50 of 50)	100.0 % (25 of 25)	100.0 % (24 of 24)	100.0 % (1 of 1)
Methyl	99.2 % (123 of 124)	98.4 % (61 of 62)	100.0 % (62 of 62)

1. PDZ domain

GSSGSSGDIH QEMDREELEL EEVDLYRMNS QDKLGLTVCY RTDDEDDIGI YISEIDPNSI AAKDGRIREG DRIIQINGIE VQNREEAVAL LTSEENKNFS LLIARPELQL DEGWMDDDSG PSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 6.0 (±0.05), Details 1.10mM 13C, 15N-labeled {protein;20mM} {PiNa(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]	protein	1.10 mM
2	PiNa	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: 2.18 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	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 2.18 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.08 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 2.47 ppm, Outliers: 5 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 1 models in PDB: 1WH1, Strand ID: A Detail

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Release date

2011-07-20

Citation

Solution structure of the fourth PDZ domain of KIAA1095 protein
Qin, X., Saito, K., Kigawa, T., Hayashi, F., Yokoyama, S.

Related entities 1. KIAA1095 protein, : 1 : 2 : 51 entities Detail

Interaction partners 1. KIAA1095 protein, : 2 interactors Detail

Experiments performed 2 experiments Detail