BMRB Entry 7415

Name: Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
Published: 2011-08-11

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PDB ID: 2jxy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7415
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12

Deposition date:

2007-12-03

Original release date:

2011-08-11

Authors:

Bertini, Ivano; Calderone, Vito; Fragai, Marco; Jaiswal, Rahul; Luchinat, Claudio; Melikian, Maxime; Mylonas, Efstratios; Svergun, Dmitri

Citation:

Citation: Bertini, I.; Calderone, V.; Fragai, M.; Jaiswal, R.; Luchinat, C.; Melikian, M.; Mylonas, E.; Svergun, D.. "Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12" J. Am. Chem. Soc. 130, 7011-7022 (2008).
PubMed: 18465858

Assembly members:

Assembly members:
CAT_DOMAIN, polymer, 159 residues, Formula weight is not available
CD (CADMIUM ION), non-polymer, 112.411 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CAT_DOMAIN: MGPVWRKHYITYRINNYTPD MNREDVDYAIRKAFQVWSNV TPLKFSKINTGMADILVVFA RGAHGDFHAFDGKGGILAHA FGPGSGIGGDAHFDEDEFWT THSGGTNLFLTAVHEIGHSL GLGHSSDPKAVMFPTYKYVD INTFRLSADDIRGIQSLYG

Data sets:

heteronucl_NOEs
- heteronuclear_noe_CAT
heteronucl_T1_relaxation
- heteronuclear_R1_CAT
heteronucl_T2_relaxation
- heteronuclear_R2_CAT

Data type	Count
T1 relaxation values	129
T2 relaxation values	129

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Catalytic Domain	1
2	Cadmium ion	2

Entities:

Entity 1, Catalytic Domain 159 residues - Formula weight is not available

1

MET

GLY

PRO

VAL

TRP

ARG

LYS

HIS

TYR

ILE

2

THR

TYR

ARG

ILE

ASN

TYR

THR

PRO

ASP

3

MET

ASN

ARG

GLU

ASP

VAL

ASP

TYR

ALA

ILE

4

ARG

LYS

ALA

PHE

GLN

VAL

TRP

SER

ASN

VAL

5

THR

PRO

LEU

LYS

PHE

SER

LYS

ILE

ASN

THR

6

GLY

MET

ALA

ASP

ILE

LEU

VAL

PHE

ALA

7

ARG

GLY

ALA

HIS

GLY

ASP

PHE

HIS

ALA

PHE

8

ASP

GLY

LYS

GLY

ILE

LEU

ALA

HIS

ALA

9

PHE

GLY

PRO

GLY

SER

GLY

ILE

GLY

ASP

10

ALA

HIS

PHE

ASP

GLU

ASP

GLU

PHE

TRP

THR

11

THR

HIS

SER

GLY

THR

ASN

LEU

PHE

LEU

12

THR

ALA

VAL

HIS

GLU

ILE

GLY

HIS

SER

LEU

13

GLY

LEU

GLY

HIS

SER

ASP

PRO

LYS

ALA

14

VAL

MET

PHE

PRO

THR

TYR

LYS

TYR

VAL

ASP

15

ILE

ASN

THR

PHE

ARG

LEU

SER

ALA

ASP

16

ILE

ARG

GLY

ILE

GLN

SER

LEU

TYR

GLY

Entity 2, Cadmium ion 1 residues - Cd - 112.411 Da.

1

CD

Samples:

sample_1: CAT_DOMAIN, [U-13C; U-15N], mM; NaCl 300 mM

sample_conditions_1: ionic strength: 300 mM; pH: 7.2; pressure: 1 ATM; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D_15N-separated_NOESY	sample_1	not available	not available
3D_13C-separated_NOESY	sample_1	not available	not available
2D 1H-15N HSQC	sample_1	not available	not available
3D HNCO	sample_1	not available	not available
3D HNCA	sample_1	not available	not available
3D HN(CO)CA	sample_1	not available	not available
3D CBCA(CO)NH	sample_1	not available	not available
3D HNCACB	sample_1	not available	not available
3D HCCH-TOCSY	sample_1	not available	not available
3D HBHA(CO)NH	sample_1	not available	not available
3D HNHA	sample_1	not available	not available
2D 1H-15N HSQC T1	sample_1	not available	not available
2D 1H-15N HSQC T2	sample_1	not available	not available
2D 1H-15N HSQC NOE	sample_1	not available	not available
2D 1H-15N HSQC IPAP	sample_1	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker AVANCE 900 MHz
Bruker DRX 500 MHz
Bruker Avance 700 MHz