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Found 1 Document (1.171 seconds)

BMRB: 25489

2MZI

NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Anionic Membrane

Authors

Prior, S.H., Van Doren, S.R.

Assembly

PRO Form of Human Matrilysin (proMMP-7) in Complex with Anionic Membrane

Entity

1. proMMP-7(E195A) (polymer), 248 monomers, 27665.96 Da Detail

LPQEAGGMSE LQWEQAQDYL KRFYLYDSET KNANSLEAKL KEMQKFFGLP ITGMLNSRVI EIMQKPRCGV PDVAEYSLFP NSPKWTSKVV TYRIVSYTRD LPHITVDRLV SKALNMWGKE IPLHFRKVVW GTADIMIGFA RGAHGDSYPF DGPGNTLAHA FAPGTGLGGD AHFDEDERWT DGSSLGINFL YAATHALGHS LGMGHSSDPN AVMYPTYGNG DPQNFKLSQD DIKGIQKLYG KRSNSRKK

2. CALCIUM ION (non-polymer), 40.078 Da
3. ZINC ION (non-polymer), 65.409 Da
4. 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE (non-polymer), 678.940 Da
5. CHOLEST-5-EN-3-YL HYDROGEN SULFATE (non-polymer), 466.717 Da

Total weight

28917.104 Da

Max. entity weight

27665.96 Da

Entity Connection

metal coordination 22 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:ASP72:OD1	3:ZN1:ZN
2	metal coordination	sing	1:ASP146:OD2	3:ZN1:ZN
3	metal coordination	sing	1:HIS172:ND1	3:ZN1:ZN
4	metal coordination	sing	1:HIS199:NE2	3:ZN1:ZN
5	metal coordination	sing	1:HIS144:NE2	3:ZN1:ZN
6	metal coordination	sing	1:HIS159:NE2	3:ZN1:ZN
7	metal coordination	sing	1:HIS205:NE2	3:ZN1:ZN
8	metal coordination	sing	1:HIS195:NE2	3:ZN1:ZN
9	metal coordination	sing	1:ASP174:OD2	2:CA1:CA
10	metal coordination	sing	1:ASP151:OD1	2:CA1:CA
11	metal coordination	sing	1:ASP176:OD2	2:CA1:CA
12	metal coordination	sing	1:GLU177:OE1	2:CA1:CA
13	metal coordination	sing	1:GLY166:O	2:CA1:CA
14	metal coordination	sing	1:ASP170:OD2	2:CA1:CA
15	metal coordination	sing	1:ASP134:OD1	2:CA1:CA
16	metal coordination	sing	1:ASP134:O	2:CA1:CA
17	metal coordination	sing	1:ASP170:OD1	2:CA1:CA
18	metal coordination	sing	1:GLY152:O	2:CA1:CA
19	metal coordination	sing	1:THR156:O	2:CA1:CA
20	metal coordination	sing	1:GLY168:O	2:CA1:CA
21	metal coordination	sing	1:GLY154:O	2:CA1:CA
22	metal coordination	sing	1:ASP151:OD2	2:CA1:CA

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 50.2 %, Completeness (bb): 52.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	50.2 % (1450 of 2890)	68.2 % (1026 of 1505)	17.1 % (193 of 1126)	89.2 % (231 of 259)
Backbone	52.5 % (766 of 1460)	84.2 % (427 of 507)	16.8 % (121 of 719)	93.2 % (218 of 234)
Sidechain	43.9 % (726 of 1653)	60.0 % (599 of 998)	18.1 % (114 of 630)	52.0 % (13 of 25)
Aromatic	22.4 % (65 of 290)	41.4 % (60 of 145)	0.0 % (0 of 140)	100.0 % (5 of 5)
Methyl	79.1 % (182 of 230)	95.7 % (110 of 115)	62.6 % (72 of 115)

1. proMMP-7(E195A)

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
2	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	natural abundance	50 mM
3	1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	natural abundance	100 mM
4	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	natural abundance	3 mM
5	imidazole	natural abundance	20 mM
6	CaCl2	natural abundance	10 mM
7	ZnCl2	natural abundance	20 uM
8	beta-mercaptoethanol	natural abundance	10 mM
9	sodium azide	natural abundance	0.02 %
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

Sample #2

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

#	Name	Isotope labeling	Concentration
12	entity_1	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
13	entity_PX4	natural abundance	50 mM
14	entity_PX4	natural abundance	100 mM
15	entity_C3S	natural abundance	3 mM
16	imidazole	natural abundance	20 mM
17	CaCl2	natural abundance	10 mM
18	ZnCl2	natural abundance	20 uM
19	beta-mercaptoethanol	natural abundance	10 mM
20	sodium azide	natural abundance	0.02 %
21	1-palmitoyl-2-stearoyl-(14-doxyl)-sn-glycero-3-phosphocholine	natural abundance	1.5 mM
22	1,2-dipalmitoyl-sn-glycero-3-phospho(tempo)choline	natural abundance	1.5 mM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

Protein Blocks Logo

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

Release date

2015-11-15

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 : 2 : 4 : 167 entities Detail

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

More details for 3 interactors identified by 3 citations

Experiments performed 4 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
2	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	natural abundance	50 mM
3	1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	natural abundance	100 mM
4	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	natural abundance	3 mM
5	imidazole	natural abundance	20 mM
6	CaCl2	natural abundance	10 mM
7	ZnCl2	natural abundance	20 uM
8	beta-mercaptoethanol	natural abundance	10 mM
9	sodium azide	natural abundance	0.02 %
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

2 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
2	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	natural abundance	50 mM
3	1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	natural abundance	100 mM
4	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	natural abundance	3 mM
5	imidazole	natural abundance	20 mM
6	CaCl2	natural abundance	10 mM
7	ZnCl2	natural abundance	20 uM
8	beta-mercaptoethanol	natural abundance	10 mM
9	sodium azide	natural abundance	0.02 %
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %

3 2D 1H-15N HSQC, CPMG

Instrument

Bruker Avance - 800 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6

#	Name	Isotope labeling	Concentration
12	entity_1	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
13	entity_PX4	natural abundance	50 mM
14	entity_PX4	natural abundance	100 mM
15	entity_C3S	natural abundance	3 mM
16	imidazole	natural abundance	20 mM
17	CaCl2	natural abundance	10 mM
18	ZnCl2	natural abundance	20 uM
19	beta-mercaptoethanol	natural abundance	10 mM
20	sodium azide	natural abundance	0.02 %
21	1-palmitoyl-2-stearoyl-(14-doxyl)-sn-glycero-3-phosphocholine	natural abundance	1.5 mM
22	1,2-dipalmitoyl-sn-glycero-3-phospho(tempo)choline	natural abundance	1.5 mM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

4 2D 1H-13C HSQC, CPMG

Instrument

Bruker Avance - 800 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6

#	Name	Isotope labeling	Concentration
12	entity_1	[U-100% 15N, U-100% 13CH3 (ILV)]	0.4 mM
13	entity_PX4	natural abundance	50 mM
14	entity_PX4	natural abundance	100 mM
15	entity_C3S	natural abundance	3 mM
16	imidazole	natural abundance	20 mM
17	CaCl2	natural abundance	10 mM
18	ZnCl2	natural abundance	20 uM
19	beta-mercaptoethanol	natural abundance	10 mM
20	sodium azide	natural abundance	0.02 %
21	1-palmitoyl-2-stearoyl-(14-doxyl)-sn-glycero-3-phosphocholine	natural abundance	1.5 mM
22	1,2-dipalmitoyl-sn-glycero-3-phospho(tempo)choline	natural abundance	1.5 mM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

nullKeywords anionic, hydrolase, membrane-bound form, metalloenzyme, zymogen

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Found 1 Document (1.171 seconds)

BMRB: 25489

Sample #1

Sample #2

Related entities 1. proMMP-7(E195A), : 1 : 2 : 4 : 167 entities Detail

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

Experiments performed 4 experiments Detail

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Sample

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