BMRB Entry 30426

Title:
MT1-MMP HPX Domain with Blade 2 Loop Bound to Nanodiscs   PubMed: 30471921
Deposition date:
2018-03-02
Original release date:
2018-12-04
Authors:
Marcink, T.; Van Doren, S.
Citation:

Citation: Marcink, Tara; Simoncic, Jayce; An, Bo; Knapinska, Anna; Fulcher, Yan; Akkaladevi, Narahari; Fields, Gregg; Van Doren, Steven. "MT1-MMP Binds Membranes by Opposite Tips of Its beta Propeller to Position It for Pericellular Proteolysis"  Structure 27, 281-292 (2019).

Assembly members:

Assembly members:
entity_1, polymer, 196 residues, 23131.346 Da.
entity_2, polymer, 211 residues, 24912.156 Da.
entity_PX4, non-polymer, 678.940 Da.
entity_NA, non-polymer, 22.990 Da.
entity_CL, non-polymer, 35.453 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Experimental source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Data sets:
Data typeCount
13C chemical shifts35
15N chemical shifts92
1H chemical shifts197

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_2, 12
3entity_2, 22
4entity_3, 13
5entity_3, 23
6entity_3, 33
7entity_3, 43
8entity_3, 53
9entity_3, 63
10entity_3, 73
11entity_3, 83
12entity_3, 93
13entity_3, 103
14entity_3, 113
15entity_3, 123
16entity_3, 133
17entity_3, 143
18entity_3, 153
19entity_3, 163
20entity_3, 173
21entity_3, 183
22entity_3, 193
23entity_3, 203
24entity_3, 213
25entity_3, 223
26entity_3, 233
27entity_3, 243
28entity_3, 253
29entity_3, 263
30entity_3, 273
31entity_3, 283
32entity_3, 293
33entity_3, 303
34entity_3, 313
35entity_3, 323
36entity_3, 333
37entity_3, 343
38entity_3, 353
39entity_3, 363
40entity_3, 373
41entity_3, 383
42entity_3, 393
43entity_3, 403
44entity_3, 413
45entity_3, 423
46entity_3, 433
47entity_3, 443
48entity_3, 453
49entity_3, 463
50entity_3, 473
51entity_3, 483
52entity_3, 493
53entity_3, 503
54entity_3, 513
55entity_3, 523
56entity_3, 533
57entity_3, 543
58entity_3, 553
59entity_3, 563
60entity_3, 573
61entity_3, 583
62entity_3, 593
63entity_3, 603
64entity_3, 613
65entity_3, 623
66entity_3, 633
67entity_3, 643
68entity_3, 653
69entity_3, 663
70entity_3, 673
71entity_3, 683
72entity_3, 693
73entity_3, 703
74entity_3, 713
75entity_3, 723
76entity_3, 733
77entity_3, 743
78entity_3, 753
79entity_3, 763
80entity_3, 773
81entity_3, 783
82entity_3, 793
83entity_3, 803
84entity_3, 813
85entity_3, 823
86entity_3, 833
87entity_3, 843
88entity_3, 853
89entity_3, 863
90entity_3, 873
91entity_3, 883
92entity_3, 893
93entity_3, 903
94entity_3, 913
95entity_3, 923
96entity_3, 933
97entity_3, 943
98entity_3, 953
99entity_3, 963
100entity_3, 973
101entity_3, 983
102entity_3, 993
103entity_3, 1003
104entity_3, 1013
105entity_3, 1023
106entity_3, 1033
107entity_3, 1043
108entity_3, 1053
109entity_3, 1063
110entity_3, 1073
111entity_3, 1083
112entity_3, 1093
113entity_3, 1103
114entity_3, 1113
115entity_3, 1123
116entity_3, 1133
117entity_3, 1143
118entity_3, 1153
119entity_3, 1163
120entity_3, 1173
121entity_3, 1183
122entity_3, 1193
123entity_3, 1203
124entity_3, 1213
125entity_3, 1223
126entity_3, 1233
127entity_3, 1243
128entity_3, 1253
129entity_3, 1263
130entity_3, 1273
131entity_3, 1283
132entity_3, 1293
133entity_3, 1303
134entity_3, 1313
135entity_3, 1323
136entity_3, 1333
137entity_3, 1343
138entity_3, 1353
139entity_3, 1363
140entity_3, 1373
141entity_3, 1383
142entity_3, 1393
143entity_3, 1403
144entity_3, 1413
145entity_3, 1423
146entity_3, 1433
147entity_3, 1443
148entity_3, 1453
149entity_3, 1463
150entity_3, 1473
151entity_3, 1483
152entity_3, 1493
153entity_3, 1503
154entity_3, 1513
155entity_3, 1523
156entity_3, 1533
157entity_3, 1543
158entity_3, 1553
159entity_3, 1563
160entity_3, 1573
161entity_3, 1583
162entity_3, 1593
163entity_3, 1603
164entity_3, 1613
165entity_3, 1623
166entity_3, 1633
167entity_3, 1643
168entity_3, 1653
169entity_3, 1663
170entity_3, 1673
171entity_3, 1683
172entity_3, 1693
173entity_3, 1703
174entity_3, 1713
175entity_3, 1723
176entity_3, 1733
177entity_3, 1743
178entity_3, 1753
179entity_3, 1763
180entity_3, 1773
181entity_3, 1783
182entity_3, 1793
183entity_3, 1803
184entity_3, 1813
185entity_3, 1823
186entity_3, 1833
187entity_3, 1843
188entity_3, 1853
189entity_3, 1863
190entity_3, 1873
191entity_3, 1883
192entity_3, 1893
193entity_3, 1903
194entity_3, 1913
195entity_3, 1923
196entity_3, 1933
197entity_3, 1943
198entity_3, 1953
199entity_3, 1963
200entity_3, 1973
201entity_3, 1983
202entity_3, 1993
203entity_3, 2003
204entity_3, 2013
205entity_3, 2023
206entity_3, 2033
207entity_3, 2043
208entity_3, 2053
209entity_3, 2063
210entity_3, 2073
211entity_3, 2083
212entity_3, 2093
213entity_3, 2103
214entity_3, 2113
215entity_3, 2123
216entity_3, 2133
217entity_3, 2143
218entity_3, 2153
219entity_3, 2163
220entity_3, 2173
221entity_3, 2183
222entity_44
223entity_55

Entities:

Entity 1, entity_1 196 residues - 23131.346 Da.

1   PROASNILECYSASPGLYASNPHEASPTHR
2   VALALAMETLEUARGGLYGLUMETPHEVAL
3   PHELYSGLUARGTRPPHETRPARGVALARG
4   ASNASNGLNVALMETASPGLYTYRPROMET
5   PROILEGLYGLNPHETRPARGGLYLEUPRO
6   ALASERILEASNTHRALATYRGLUARGLYS
7   ASPGLYLYSPHEVALPHEPHELYSGLYASP
8   LYSHISTRPVALPHEASPGLUALASERLEU
9   GLUPROGLYTYRPROLYSHISILELYSGLU
10   LEUGLYARGGLYLEUPROTHRASPLYSILE
11   ASPALAALALEUPHETRPMETPROASNGLY
12   LYSTHRTYRPHEPHEARGGLYASNLYSTYR
13   TYRARGPHEASNGLUGLULEUARGALAVAL
14   ASPSERGLUTYRPROLYSASNILELYSVAL
15   TRPGLUGLYILEPROGLUSERPROARGGLY
16   SERPHEMETGLYSERASPGLUVALPHETHR
17   TYRPHETYRLYSGLYASNLYSTYRTRPLYS
18   PHEASNASNGLNLYSLEULYSVALGLUPRO
19   GLYTYRPROLYSSERALALEUARGASPTRP
20   METGLYCYSPROSERGLY

Entity 2, entity_2, 1 211 residues - 24912.156 Da.

1   SERTHRPHESERLYSLEUARGGLUGLNLEU
2   GLYPROVALTHRGLNGLUPHETRPASPASN
3   LEUGLULYSGLUTHRGLUGLYLEUARGGLN
4   GLUMETSERLYSASPLEUGLUGLUVALLYS
5   ALALYSVALGLNPROTYRLEUASPASPPHE
6   GLNLYSLYSTRPGLNGLUGLUMETGLULEU
7   TYRARGGLNLYSVALGLUPROTYRLEUASP
8   ASPPHEGLNLYSLYSTRPGLNGLUGLUMET
9   GLULEUTYRARGGLNLYSVALGLUPROLEU
10   ARGALAGLULEUGLNGLUGLYALAARGGLN
11   LYSLEUHISGLULEUGLNGLULYSLEUSER
12   PROLEUGLYGLUGLUMETARGASPARGALA
13   ARGALAHISVALASPALALEUARGTHRHIS
14   LEUALAPROTYRSERASPGLULEUARGGLN
15   ARGLEUALAALAARGLEUGLUALALEULYS
16   GLUASNGLYGLYALAARGLEUALAGLUTYR
17   HISALALYSALATHRGLUHISLEUSERTHR
18   LEUSERGLULYSALALYSPROALALEUGLU
19   ASPLEUARGGLNGLYLEULEUPROVALLEU
20   GLUSERPHELYSVALSERPHELEUSERALA
21   LEUGLUGLUTYRTHRLYSLYSLEUASNTHR
22   GLN

Entity 3, entity_3, 1 - C36 H73 N O8 P - 678.940 Da.

1   PX4

Entity 4, entity_4 - Na - 22.990 Da.

1   NA

Entity 5, entity_5 - Cl - 35.453 Da.

1   CL

Samples:

sample_1: Tri-HCl 20 mM; NaCl 300 mM; sodium azide 0.02%; H2O 93%; D2O, [U-100% 2H], 7%; MT1-MMP hemopexin-like domain, [U-2H; U-13C; U-15N], 90 ± 10 uM; MSP1D1 180 ± 10 uM; PX4 14.4 ± 10 mM

sample_conditions_1: ionic strength: 300 mM; pH: 7.2; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
HMQCsample_1isotropicsample_conditions_1
TROSYsample_1isotropicsample_conditions_1
CPMG-HMQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - processing

Analysis v2.4, CCPN - data analysis

HADDOCK vHADDOCK2.1, Bonvin - structure calculation

NAMD v2.1, Theoretical and Computational Biophysics Group in UIUC - refinement, structure calculation

NMR spectrometers:

  • Bruker AvanceIII 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts