BMRB: 5381

Structure of BPTI_A16V mutant

Authors

Cierpicki, T., Otlewski, J.

Assembly

anneal2 3

Entity

1. anneal2 3 (polymer, Thiol state: all disulfide bound), 58 monomers, 6555.514 Da Detail

RPDFCLEPPY TGPCRVRIIR YFYNAKAGLC QTFVYGGCRA KRNNFKSAED CLRTCGGA

Formula weight

6555.514 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS55:SG
2	disulfide	sing	1:CYS14:SG	1:CYS38:SG
3	disulfide	sing	1:CYS30:SG	1:CYS51:SG

Source organism

Bos taurus

Exptl. method

NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.9 %, Completeness (bb): 95.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	96.9 % (342 of 353)	96.9 % (342 of 353)
Backbone	95.8 % (113 of 118)	95.8 % (113 of 118)
Sidechain	97.4 % (229 of 235)	97.4 % (229 of 235)
Aromatic	94.4 % (34 of 36)	94.4 % (34 of 36)
Methyl	95.5 % (21 of 22)	95.5 % (21 of 22)

1. pancreatic trypsin inhibitor

RPDFCLEPPY TGPCRVRIIR YFYNAKAGLC QTFVYGGCRA KRNNFKSAED CLRTCGGA

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 3.1

#	Name	Isotope labeling	Type	Concentration
1	pancreatic trypsin inhibitor			4 mM
2	H2O			90 %
3	D2O			10 %

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Calculated from 10 models in PDB: 1LD5, Strand ID: A Detail

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Release date

2002-06-01

Citation

NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability
Cierpicki, T., Otlewski, J.
J. Mol. Biol. (2002), 321, 647-658, PubMed 12206780 , DOI 10.1016/s0022-2836(02)00620-4 , Abstract

Related entities 1. anneal2 3, : 1 : 1 : 23 : 334 entities Detail

Interaction partners 1. anneal2 3, : 8 interactors Detail

Experiments performed 3 experiments Detail