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BMRB: 5348


5348
1IW4
Solution structure of ascidian trypsin inhibitor determined by nuclear magnetic resonance spectroscopy
Authors
Hemmi, H., Yoshida, T., Kumazaki, T., Nemoto, N., Hasegawa, J., Nishioka, F., Kyogoku, Y., Yokosawa, H., Kobayashi, Y.
Assembly
ati monomer
Entity
1. ati monomer (polymer, Thiol state: all disulfide bound), 55 monomers, 6077.925 Da Detail

AHMDCTEFNP LCRCNKMLGD LICAVIGDAK EEHRNMCALC CEHPGGFEYS NGPCE


Formula weight
6077.925 Da
Entity Connection
disulfide 4 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS5:SG1:CYS40:SG
2disulfidesing1:CYS12:SG1:CYS41:SG
3disulfidesing1:CYS14:SG1:CYS37:SG
4disulfidesing1:CYS23:SG1:CYS54:SG

Source organism
Halocynthia roretzi
Exptl. method
NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 98.4 %, Completeness (bb): 99.1 % Detail
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Polymer type: polypeptide(L)

Total1H
All98.4 % (305 of 310)98.4 % (305 of 310)
Backbone99.1 % (111 of 112)99.1 % (111 of 112)
Sidechain98.0 % (194 of 198)98.0 % (194 of 198)
Aromatic95.0 % (19 of 20)95.0 % (19 of 20)
Methyl100.0 % (19 of 19)100.0 % (19 of 19)

1. ascidian trypsin inhibitor

AHMDCTEFNP LCRCNKMLGD LICAVIGDAK EEHRNMCALC CEHPGGFEYS NGPCE

Show sample condition
Sample

Temperature 303 (±1) K, pH 3.7 (±0.1)


#NameIsotope labelingTypeConcentration
1ascidian trypsin inhibitor1.5 ~ 2.0 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 1IW4, Strand ID: A Detail

Release date
2002-04-21
Citation
Solution structure of ascidian trypsin inhibitor determined by nuclear magnetic resonance spectroscopy
Hemmi, H., Yoshida, T., Kumazaki, T., Nemoto, N., Hasegawa, J., Nishioka, F., Kyogoku, Y., Yokosawa, H., Kobayashi, Y.
Biochemistry (2002), 41, 10657-10664, PubMed 12186551 , DOI: ,
Related entities 1. ati monomer, : 1 : 1 : 2 entities Detail
More details for 4 related entities
Experiments performed 4 experiments Detail
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