BMRB: 4422

NMR Solution Structure of Apis mellifera Chymotrypsin Inhibitor (AMCI).

Authors

Cierpicki, T., Otlewski, J.

Assembly

Apis mellifera chymotrypsin inhibitor

Entity

1. Apis mellifera chymotrypsin inhibitor (polymer, Thiol state: all disulfide bound), 56 monomers, 5972.788 Da Detail

EECGPNEVFN TCGSACAPTC AQPKTRICTM QCRIGCQCQE GFLRNGEGAC VLPENC

Formula weight

5972.788 Da

Entity Connection

disulfide 5 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS36:SG
2	disulfide	sing	1:CYS12:SG	1:CYS32:SG
3	disulfide	sing	1:CYS16:SG	1:CYS28:SG
4	disulfide	sing	1:CYS20:SG	1:CYS56:SG
5	disulfide	sing	1:CYS38:SG	1:CYS50:SG

Source organism

Apis mellifera

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 97.7 %, Completeness (bb): 97.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	97.7 % (303 of 310)	97.7 % (303 of 310)
Backbone	97.4 % (111 of 114)	97.4 % (111 of 114)
Sidechain	98.0 % (192 of 196)	98.0 % (192 of 196)
Aromatic	90.0 % (9 of 10)	90.0 % (9 of 10)
Methyl	100.0 % (20 of 20)	100.0 % (20 of 20)

1. Apis mellifera chymotrypsin inhibitor

EECGPNEVFN TCGSACAPTC AQPKTRICTM QCRIGCQCQE GFLRNGEGAC VLPENC

Show sample condition

Sample

Temperature 288 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Apis mellifera chymotrypsin inhibitor			6.6 mM

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Protein Blocks Logo

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

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Release date

2000-12-18

Citation 1

NMR solution structure of Apis mellifera chymotrypsin/cathepsin G inhibitor-1 (AMCI-1): structural similarity with Ascaris protease inhibitors
Cierpicki, T., Bania, J., Otlewski, J.
Protein Sci. (2000), 9, 976-984, PubMed 10850807 , DOI 10.1110/ps.9.5.976 , Abstract

Show more 2 citaions

Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , DOI 10.1007/bf00197809 , Abstract

Citation 3

Torsion angle dynamics for NMR structure calculation with the new program DYANA
Guntert, P., Mumenthaler, C., Wuthrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 , Abstract

Hide non-primary 2 citaions

Related entities 1. Apis mellifera chymotrypsin inhibitor, : 1 : 1 : 161 entities Detail

Experiments performed 3 experiments Detail