BMRB Entry 6014

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PDB ID: 2ddy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6014
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C and 15N backbone resonance assignments of matrilysin (mmp7) complexed with a hydroxamic acid inhibitor

Deposition date:

2003-11-20

Original release date:

2005-11-21

Authors:

Ou, Li; Zhang, Qi; Ma, Jingbiao; Wang, Zhonghua; Zhang, Fang; Wu, Houming

Citation:

Citation: Ou, Li; Zhang, Qi; Ma, Jingbiao; Wu, Wengen; Wang, Zhonghua; Zhang, Fang; Ma, Dawei; Wu, Houming. "Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of matrilysin (MMP7) complexed with a sulfonamide hydroxamate-type inhibitor" J. Biomol. NMR 29, 537-538 (2004).
PubMed: 15243187

Assembly members:

Assembly members:
matrilysin, polymer, 173 residues, 19128 Da.
MDW, non-polymer, 408.426 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11c

Entity Sequences (FASTA):

Entity Sequences (FASTA):
matrilysin: YSLFPNSPKWTSKVVTYRIV SYTRDLPHITVDRLVSKALN MWGKEIPLHFRKVVWGTADI MIGFARGAHGDSYPFDGPGN TLAHAFAPGTGLGGDAHFDE DERWTDGSSLGINFLYAATH ELGHSLGMGHSSDPNAVMYP TYGNGDPQNFKLSQDDIKGI QKLYGKRSNSRKK

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	308
13C chemical shifts	464
15N chemical shifts	147

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	matrilysin madw01053	1
2	ZINC (II) ION	3
3	Hydroxamic acid inhibitor	2

Entities:

Entity 1, matrilysin madw01053 173 residues - 19128 Da.

1

TYR

SER

LEU

PHE

PRO

ASN

SER

PRO

LYS

TRP

2

THR

SER

LYS

VAL

THR

TYR

ARG

ILE

VAL

3

SER

TYR

THR

ARG

ASP

LEU

PRO

HIS

ILE

THR

4

VAL

ASP

ARG

LEU

VAL

SER

LYS

ALA

LEU

ASN

5

MET

TRP

GLY

LYS

GLU

ILE

PRO

LEU

HIS

PHE

6

ARG

LYS

VAL

TRP

GLY

THR

ALA

ASP

ILE

7

MET

ILE

GLY

PHE

ALA

ARG

GLY

ALA

HIS

GLY

8

ASP

SER

TYR

PRO

PHE

ASP

GLY

PRO

GLY

ASN

9

THR

LEU

ALA

HIS

ALA

PHE

ALA

PRO

GLY

THR

10

GLY

LEU

GLY

ASP

ALA

HIS

PHE

ASP

GLU

11

ASP

GLU

ARG

TRP

THR

ASP

GLY

SER

LEU

12

GLY

ILE

ASN

PHE

LEU

TYR

ALA

THR

HIS

13

GLU

LEU

GLY

HIS

SER

LEU

GLY

MET

GLY

HIS

14

SER

ASP

PRO

ASN

ALA

VAL

MET

TYR

PRO

15

THR

TYR

GLY

ASN

GLY

ASP

PRO

GLN

ASN

PHE

16

LYS

LEU

SER

GLN

ASP

ILE

LYS

GLY

ILE

17

GLN

LYS

LEU

TYR

GLY

LYS

ARG

SER

ASN

SER

18

ARG

LYS

Entity 3, ZINC (II) ION - Zn - 65.409 Da.

1

ZN

Entity 2, Hydroxamic acid inhibitor - C18 H20 N2 O7 S - 408.426 Da.

1

MDW

Samples:

sample_1: matrilysin0.6 – 0.7 mM; NaCl 100 mM; Tris-HCl 10 mM; CaCl2 10 mM; ZnCl2 0.1 mM; NaN3 2 mM

cond._set_1: pH: 6.9; temperature: 298 K; ionic strength: 0.10 M

Experiments:

Name	Sample	Sample state	Sample conditions
CBCA(CO)NH	sample_1	not available	cond._set_1
CBCANH	sample_1	not available	cond._set_1
C(CO)NH	sample_1	not available	cond._set_1
HC(CO)NH	sample_1	not available	cond._set_1
HNCO	sample_1	not available	cond._set_1
HCACO	sample_1	not available	cond._set_1
HNCA	sample_1	not available	cond._set_1
HCCH-COSY and HCCH-TOCSY	sample_1	not available	cond._set_1

Software:

NMRView v5.0.4 - assignments

NMR spectrometers:

Varian INOVA 600 MHz

PDB	1MMP 1MMQ 1MMR 2DDY 2Y6C 2Y6D
DBJ	BAD96700 BAI46673
EMBL	CAA30678 CAA77942
GB	AAC37543 AAH03635 AAV40839 AAX36381 AAX36443
REF	NP_002414 XP_001097508 XP_002822443 XP_003828431 XP_003910646
SP	P09237
AlphaFold	P09237