BMRB: 4679

1H, 15N, 13C, and 13CO Assignments and Secondary Structure Determination of Collagenase-3 (MMP-13) Complexed with a Hydroxamic acid Inhibitor

Authors

Moy, F.J., Chanda, P.K., Cosmi, S., Edris, W., Levin, J.I., Powers, R.

Assembly

Human Collagenase-3

Entity

1. Human Collagenase-3 (polymer, Thiol state: not present), 165 monomers, 18585.62 Da Detail

YNVFPRTLKW SKMNLTYRIV NYTPDMTHSE VEKAFKKAFK VWSDVTPLNF TRLHDGIADI MISFGIKEHG DFYPFDGPSG LLAHAFPPGP NYGGDAHFDD DETWTSSSKG YNLFLVAAHE FGHSLGLDHS KDPGALMFPI YTYTGKSHFM LPDDDVQGIQ SLYGP

2. WAY-151693 (non-polymer, Thiol state: not present), 1 monomers, 427.474 Da

Total weight

19013.094 Da

Max. entity weight

18585.62 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.9 %, Completeness: 81.9 %, Completeness (bb): 91.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	81.9 % (1585 of 1935)	80.2 % (799 of 996)	82.8 % (642 of 775)	87.8 % (144 of 164)
Backbone	91.9 % (888 of 966)	92.2 % (307 of 333)	91.7 % (440 of 480)	92.2 % (141 of 153)
Sidechain	74.8 % (837 of 1119)	74.2 % (492 of 663)	76.9 % (342 of 445)	27.3 % (3 of 11)
Aromatic	50.4 % (138 of 274)	55.5 % (76 of 137)	44.0 % (59 of 134)	100.0 % (3 of 3)
Methyl	95.2 % (139 of 146)	95.9 % (70 of 73)	94.5 % (69 of 73)

1. Human Collagenase-3

YNVFPRTLKW SKMNLTYRIV NYTPDMTHSE VEKAFKKAFK VWSDVTPLNF TRLHDGIADI MISFGIKEHG DFYPFDGPSG LLAHAFPPGP NYGGDAHFDD DETWTSSSKG YNLFLVAAHE FGHSLGLDHS KDPGALMFPI YTYTGKSHFM LPDDDVQGIQ SLYGP

Show sample condition

Sample #1

Temperature 308 (±0.2) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Human Collagenase-3	[U-15N]		1.0 mM
2	WAY-151693			1.0 mM
3	Tris-Base	[U-2H]		10 mM
4	NaCl			100 mM
5	CaCl2			5 mM
6	ZnCl2			0.1 mM
7	NaN3			2 mM
8	DTT	[U-2H]		10 mM
9	H2O			90 %
10	D2O			10 %

Sample #2

Temperature 308 (±0.2) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
11	Human Collagenase-3	[U-13C; U-15N]		1.0 mM
12	WAY-151693			1.0 mM
13	Tris-Base	[U-2H]		10 mM
14	NaCl			100 mM
15	CaCl2			5 mM
16	ZnCl2			0.1 mM
17	NaN3			2 mM
18	DTT	[U-2H]		10 mM
19	H2O			90 %
20	D2O			10 %

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LACS Plot; CA

Referencing offset: -0.16 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.16 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: -0.05 ppm, Outliers: 5 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: 0.13 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 30 models in PDB: 1FM1, Strand ID: A Detail

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Release date

2002-03-31

Citation

Letter to the editor: 1H, 15N, 13C, and 13CO assignments and secondary structure determination of collagenase-3 (MMP-13) complexed with a hydroxamic acid inhibitor
Moy, F.J., Chanda, P.K., Cosmi, S., Edris, W., Levin, J.I., Powers, R.
J. Biomol. NMR (2000), 17, 269-270, PubMed 10959634 , DOI: , Abstract

Related entities 1. Human Collagenase-3, : 1 : 43 : 6 : 239 entities Detail

Experiments performed 1 experiments Detail