BMRB Entry 5154

Name: Backbone dynamics of free N-TIMP-1 in solution
Published: 2003-01-29

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PDB ID: 1d2b
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5154
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:

Backbone dynamics of free N-TIMP-1 in solution

Deposition date:

2001-09-16

Original release date:

2003-01-29

Authors:

Gao, Guanghua; Semenchenko, Valentyna; Arumugam, Sengodagounder; Van Doren, Steven

Citation:

Citation: Gao, Guanghua; Semenchenko, Valentyna; Arumugam, Sengodagounder; Van Doren, Steven. "Tissue Inhibitor of Metalloproteinases-1 undergoes Microsecond to Millisecond Motions at sites of Matrix Metalloproteinase-induced fit" J. Mol. Biol. 301, 537-552 (2000).
PubMed: 10926526

Assembly members:

Assembly members:
N-terminal domain of Tissue Inhibitor of Metalloproteinases-1, polymer, 126 residues, Formula weight is not available

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
N-terminal domain of Tissue Inhibitor of Metalloproteinases-1: CTCVPPHPQTAFCNSDLVIR AKFVGTPEVNQTTLYQRYEI KMTKMYKGFQALGDAADIRF VYTPAMESVCGYFHRSHNRS EEFLIAGKLQDGLLHITTCS FVAPWNSLSLAQRRGFTKTY TVGCEE

Data sets:

heteronucl_NOEs
- heteronuclear_NOE
heteronucl_T1_relaxation
- T1_relaxation_label
heteronucl_T2_relaxation
- T2_relaxation_label
order_parameters
- S2_parameters_label

Data type	Count
T1 relaxation values	102
T2 relaxation values	102
order parameters	102

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-TIMP-1, inhibitor	1

Entities:

Entity 1, N-TIMP-1, inhibitor 126 residues - Formula weight is not available

1

CYS

THR

CYS

VAL

PRO

HIS

PRO

GLN

THR

2

ALA

PHE

CYS

ASN

SER

ASP

LEU

VAL

ILE

ARG

3

ALA

LYS

PHE

VAL

GLY

THR

PRO

GLU

VAL

ASN

4

GLN

THR

LEU

TYR

GLN

ARG

TYR

GLU

ILE

5

LYS

MET

THR

LYS

MET

TYR

LYS

GLY

PHE

GLN

6

ALA

LEU

GLY

ASP

ALA

ASP

ILE

ARG

PHE

7

VAL

TYR

THR

PRO

ALA

MET

GLU

SER

VAL

CYS

8

GLY

TYR

PHE

HIS

ARG

SER

HIS

ASN

ARG

SER

9

GLU

PHE

LEU

ILE

ALA

GLY

LYS

LEU

GLN

10

ASP

GLY

LEU

HIS

ILE

THR

CYS

SER

11

PHE

VAL

ALA

PRO

TRP

ASN

SER

LEU

SER

LEU

12

ALA

GLN

ARG

GLY

PHE

THR

LYS

THR

TYR

13

THR

VAL

GLY

CYS

GLU

Samples:

sample_1: N-terminal domain of Tissue Inhibitor of Metalloproteinases-1, [U-15N; U-2H], 0.70 mM; sodium acetate, [U-2H], 20 mM; NaCl 150 mM; NaN3 1 mM; H2O 93%; D2O 7%

condition_1: pH: 6.0; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N T1 relaxation	not available	not available	not available
15N T2 relaxation	not available	not available	not available
heteronuclear 1H-15N NOE	not available	not available	not available
transverse cross-relaxation measurement	not available	not available	not available

Software:

Sybyl TRIAD v6.3 -

ModelFree v4.1 -

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 750 MHz

BMRB	4327 5099 5153 5785
PDB	1D2B 1OO9 1UEA 2J0T
DBJ	BAA01913 BAG34878 BAG52016
EMBL	CAA26443 CAA26902 CAG28566 CAG46779 CAH90650
GenBank	AAA52436 AAA63234 AAA99943 AAD14009 AAH00866
PIR	JC4303
PRF	1107278A 1308125A
REF	NP_001028111 NP_003245
SWISS-PROT	P01033 P49061 Q5RC60 Q95KL9