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BMRB: 5631

1N7T

ERBIN PDZ domain bound to a phage-derived peptide

Authors

Skelton, N.J., Koehler, M.F.T., Zobel, K., Wong, W.L., Yeh, S., Pisabarro, M.T., Yin, J.P., Lasky, L.A., Sidhu, S.S.

Assembly

99-mer peptide of densin-180-like protein/phage-derived peptide

Entity

1. kalata B1 (polymer, Thiol state: not present), 103 monomers, 11182.48 Da Detail

GSHMGHELAK QEIRVRVEKD PELGFSISGG VGGRGNPFRP DDDGIFVTRV QPEGPASKLL QPGDKIIQAN GYSFINIEHG QAVSLLKTFQ NTVELIIVRE VSS

2. 99-MER PEPTIDE (polymer, Thiol state: not present), 7 monomers, 877.9383 Da Detail

TGWETWV

Total weight

12060.419 Da

Max. entity weight

11182.48 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics,

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 92.7 %, Completeness: 90.1 %, Completeness (bb): 89.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.1 % (1139 of 1264)	90.1 % (593 of 658)	90.2 % (442 of 490)	89.7 % (104 of 116)
Backbone	89.8 % (582 of 648)	89.5 % (204 of 228)	89.9 % (284 of 316)	90.4 % (94 of 104)
Sidechain	90.6 % (645 of 712)	90.2 % (388 of 430)	91.5 % (247 of 270)	83.3 % (10 of 12)
Aromatic	74.5 % (70 of 94)	74.5 % (35 of 47)	77.8 % (35 of 45)	0.0 % (0 of 2)
Methyl	93.4 % (114 of 122)	93.4 % (57 of 61)	93.4 % (57 of 61)

1. kalata B1

GSHMGHELAK QEIRVRVEKD PELGFSISGG VGGRGNPFRP DDDGIFVTRV QPEGPASKLL QPGDKIIQAN GYSFINIEHG QAVSLLKTFQ NTVELIIVRE VSS

2. 99-MER PEPTIDE

TGWETWV

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Chem. Shift Complete2

Sequence coverage: 20.9 %, Completeness: 52.5 %, Completeness (bb): 52.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	52.5 % (1326 of 2528)	54.3 % (715 of 1316)	50.3 % (493 of 980)	50.9 % (118 of 232)
Backbone	52.3 % (678 of 1296)	54.4 % (248 of 456)	50.9 % (322 of 632)	51.9 % (108 of 208)
Sidechain	52.6 % (749 of 1424)	54.3 % (467 of 860)	50.4 % (272 of 540)	41.7 % (10 of 24)
Aromatic	44.7 % (84 of 188)	52.1 % (49 of 94)	38.9 % (35 of 90)	0.0 % (0 of 4)
Methyl	52.9 % (129 of 244)	54.9 % (67 of 122)	50.8 % (62 of 122)

1. kalata B1

GSHMGHELAK QEIRVRVEKD PELGFSISGG VGGRGNPFRP DDDGIFVTRV QPEGPASKLL QPGDKIIQAN GYSFINIEHG QAVSLLKTFQ NTVELIIVRE VSS

2. 99-MER PEPTIDE

TGWETWV

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 1N7T, Strand ID: A, B Detail

Release date

2003-08-06

Citation

Origins of PDZ domain ligand specificity. Structure determination and mutagenesis of the Erbin PDZ domain
Skelton, N.J., Koehler, M.F.T., Zobel, K., Wong, W.L., Yeh, S., Pisabarro, M.T., Yin, J.P., Lasky, L.A., Sidhu, S.S.
J. Biol. Chem. (2003), 278, 7645-7654, PubMed 12446668 , DOI 10.1074/jbc.M209751200 , Abstract

Related entities 1. kalata B1, : 3 : 165 entities Detail

Experiments performed 9 experiments Detail

1 3D_15N-separated_NOESY

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

2 HNHA

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

3 3D-HNHB

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

4 3D 15N-separated low mixing time TOCSY

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

5 2D-15N-filtered NOESY

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

6 3D_13C-separated_NOESY

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

7 3D-13_filtered

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

8 13C-edited NOESY

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

9 2D-13C-filtered NOESY

Instrument

Model Bruker DRX (800 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	kalata B1	[U-15N]	2 mM
2	99-MER PEPTIDE		2.2 mM
3	sodium phosphate		25 mM
4	sodium chloride		50 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	kalata B1	[U-15N; U-13C]	2 mM
8	99-MER PEPTIDE		2.2 mM
9	sodium phosphate		25 mM
10	sodium chloride		50 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	kalata B1	[U-15N; U-13C]	2 mM
14	99-MER PEPTIDE		2.2 mM
15	sodium phosphate		25 mM
16	sodium chloride		50 mM
17	D2O		100 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	kalata B1	[U-15N]	2 mM
19	99-MER PEPTIDE		2.2 mM
20	sodium phosphate		25 mM
21	sodium chloride		50 mM
22	Pf1_phage		15 mg/mL
23	H2O		90 %
24	D2O		10 %

nullKeywords pdz domain, c-terminal peptide complex, high affinity ligand

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Found 1 Document (1.756 seconds)

BMRB: 5631

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Sample

Related entities 1. kalata B1, : 3 : 165 entities Detail

Experiments performed 9 experiments Detail

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