BMRB: 5519

Role of backbone dynamics and structure in controlling the hydrolysis constants of serine proteinase inhibitors

Authors

Song, J., Markley, J.L.

Assembly

Indian Peafowl Ovomucoid Third Domain

Entity

1. Indian Peafowl Ovomucoid Third Domain (polymer, Thiol state: all disulfide bound), 56 monomers, 5994.724 Da Detail

LAAVSVDCSE YPKPACTLEH RPLCGSDNKT YGNKCNFCNA VVESNGTLTL SHFGKC

Formula weight

5994.724 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS38:SG
2	disulfide	sing	1:CYS16:SG	1:CYS35:SG
3	disulfide	sing	1:CYS24:SG	1:CYS56:SG

Source organism

Pavo cristatus

Exptl. method

NMR

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 26.0 %, Completeness (bb): 47.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	26.0 % (157 of 605)	16.7 % (52 of 311)	22.5 % (53 of 236)	89.7 % (52 of 58)
Backbone	47.6 % (157 of 330)	46.0 % (52 of 113)	32.3 % (53 of 164)	98.1 % (52 of 53)
Sidechain	0.3 % (1 of 327)	0.0 % (0 of 198)	0.8 % (1 of 124)	0.0 % (0 of 5)
Aromatic	0.0 % (0 of 44)	0.0 % (0 of 22)	0.0 % (0 of 22)
Methyl	0.0 % (0 of 52)	0.0 % (0 of 26)	0.0 % (0 of 26)

1. Ovomucoid Third Domain from Indian Peafowl

LAAVSVDCSE YPKPACTLEH RPLCGSDNKT YGNKCNFCNA VVESNGTLTL SHFGKC

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Ovomucoid Third Domain from Indian Peafowl	[U-13C; U-15N]		2 mM

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Heteronucl. T₁

152 T₁ values in 3 lists
Coherence Sz, Field strength (¹H) 750 MHz, 500 MHz, 600 MHz, Temperature 298 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 298 (±1) K, pH 6.0 (±0.2)

Experiment name 15N T1

Heteronucl. T₂

153 T₂ values in 3 lists
Coherence S(+,-), Field strength (¹H) 750 MHz, 500 MHz, 600 MHz, Temperature 298 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 298 (±1) K, pH 6.0 (±0.2)

Experiment name 15N T2

Heteronucl. NOE

154 NOE values in 3 lists
Value type relative intensities, Field strength (¹H) 750 MHz, 500 MHz, 600 MHz, Temperature 298 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 298 (±1) K, pH 6.0 (±0.2)

Experiment name 1H,15N NOE

Heteronucl. T₁/T₂

152 T₁/T₂ values in 3 lists
Field strength (¹H) 750 MHz, 500 MHz, 600 MHz, Temperature 298 (±1) K, pH 6.0 (±0.2) Detail

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Temperature 298 (±1) K, pH 6.0 (±0.2)

Release date

2002-09-11

Citation

Protein inhibitors of serine proteinases: role of backbone structure and dynamics in controlling the hydrolysis constant
Song, J., Markley, J.L.
Biochemistry (2003), 42, 5186-5194, PubMed 12731859 , DOI 10.1021/bi034041u , Abstract

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. Indian Peafowl Ovomucoid Third Domain, : 3 : 1 : 14 : 5 : 199 entities Detail

Interaction partners 1. Indian Peafowl Ovomucoid Third Domain, : 3 interactors Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail