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BMRB: 25485

5UE2

NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7)

Authors

Fulcher, Y.G.

Assembly

PRO Form of Human Matrilysin (proMMP-7)

Entity

1. proMMP-7(E195A) (polymer, Thiol state: all free), 247 monomers, 27552.80 Da Detail

PQEAGGMSEL QWEQAQDYLK RFYLYDSETK NANSLEAKLK EMQKFFGLPI TGMLNSRVIE IMQKPRCGVP DVAEYSLFPN SPKWTSKVVT YRIVSYTRDL PHITVDRLVS KALNMWGKEI PLHFRKVVWG TADIMIGFAR GAHGDSYPFD GPGNTLAHAF APGTGLGGDA HFDEDERWTD GSSLGINFLY AATHALGHSL GMGHSSDPNA VMYPTYGNGD PQNFKLSQDD IKGIQKLYGK RSNSRKK

2. CALCIUM ION (non-polymer), 40.078 × 2 Da
3. ZINC ION (non-polymer), 65.409 × 2 Da

Total weight

27763.775 Da

Max. entity weight

27552.8 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 87.6 %, Completeness (bb): 94.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.6 % (2520 of 2876)	85.5 % (1281 of 1498)	89.6 % (1004 of 1120)	91.1 % (235 of 258)
Backbone	94.8 % (1378 of 1454)	93.7 % (473 of 505)	95.4 % (683 of 716)	95.3 % (222 of 233)
Sidechain	82.4 % (1355 of 1644)	81.4 % (808 of 993)	85.3 % (534 of 626)	52.0 % (13 of 25)
Aromatic	72.1 % (209 of 290)	73.8 % (107 of 145)	69.3 % (97 of 140)	100.0 % (5 of 5)
Methyl	97.3 % (220 of 226)	97.3 % (110 of 113)	97.3 % (110 of 113)

1. proMMP-7(E195A)

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6, Details Assignment/NOESY

#	Name	Isotope labeling	Concentration
1	proMMP-7(E195A)	[U-100% 13C; U-100% 15N]	0.4 mM
2	imidazole, pH 6.6	natural abundance	20 mM
3	CaCl2	natural abundance	10 mM
4	ZnCl2	natural abundance	20 uM
5	beta-mercaptoethanol	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6, Details Stereospecific assignment

#	Name	Isotope labeling	Concentration
9	proMMP-7(E195A)	[U-10% 13C; U-100% 15N]	0.4 mM
10	imidazole, pH 6.6	natural abundance	20 mM
11	CaCl2	natural abundance	10 mM
12	ZnCl2	natural abundance	20 uM
13	beta-mercaptoethanol	natural abundance	10 mM
14	sodium azide	natural abundance	0.02 %
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6, Details Methyl NOESY

#	Name	Isotope labeling	Concentration
17	proMMP-7(E195A)	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
18	imidazole, pH 6.6	natural abundance	20 mM
19	CaCl2	natural abundance	10 mM
20	ZnCl2	natural abundance	20 uM
21	beta-mercaptoethanol	natural abundance	10 mM
22	sodium azide	natural abundance	0.02 %
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.14 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MZE, Strand ID: A Detail

Release date

2015-11-08

Citation

Charge-Triggered Membrane Insertion of Matrix Metalloproteinase-7, Supporter of Innate Immunity and Tumors
Prior, S.H., Fulcher, Y.G., Koppisetti, R.K., Jurkevich, A., Van Doren, S.R.
Structure (2015), 23, 2099-2110, PubMed 26439767 , DOI 10.1016/j.str.2015.08.013 , Abstract

Related entities 1. proMMP-7(E195A), : 1 : 4 : 2 : 168 entities Detail

Interaction partners 1. proMMP-7(E195A), : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 18 experiments Detail

1 null

2 null

3 3D HNCACB