BMRB Entry 7089

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PDB ID: 2mls
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7089
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 Peak Assignments of Human Macrophage Metalloelastase, in its inhibitor-free state

Deposition date:

2006-04-26

Original release date:

2007-05-02

Authors:

Bhaskaran, Rajagopalan; VanDoren, Steven

Citation:

Citation: Bhaskaran, Rajagopalan; VanDoren, Steven. "1H, 13C, and 15N peak assignments and secondary structure of human macrophage metalloelastase (MMP-12) in its inhibitor-free state" J. Biomol. NMR 36, 55-55 (2006).
PubMed: 16855860

Assembly members:

Assembly members:
MMP-12, polymer, 164 residues, 18152.7 Da.
ZN, non-polymer, 65.409 Da.
CA, non-polymer, 40.078 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 Vector: pGEXMEX-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MMP-12: FREMPGGPVWRKHYITYRIN NYTPDMNREDVDYAIRKAFQ VWSNVTPLKFSKINTGMADI LVVFARGAHGDFHAFDGKGG ILAHAFGPGSGIGGDAHFDE DEFWTTHSGGTNLFLTAVHA IGHSLGLGHSSDPKAVMFPT YKYVDINTFRLSADDIRGIQ SLYG

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	638
15N chemical shifts	166
1H chemical shifts	958

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Metalloprotease	1
2	ZINC (II) ION, 1	2
3	ZINC (II) ION, 2	2
4	CALCIUM (II) ION, 1	3
5	CALCIUM (II) ION, 2	3
6	CALCIUM (II) ION, 3	3

Entities:

Entity 1, Metalloprotease 164 residues - 18152.7 Da.

The residue's author sequnce code corresponds to the original publication of the full-length protein sequence

1

PHE

ARG

GLU

MET

PRO

GLY

PRO

VAL

TRP

2

ARG

LYS

HIS

TYR

ILE

THR

TYR

ARG

ILE

ASN

3

ASN

TYR

THR

PRO

ASP

MET

ASN

ARG

GLU

ASP

4

VAL

ASP

TYR

ALA

ILE

ARG

LYS

ALA

PHE

GLN

5

VAL

TRP

SER

ASN

VAL

THR

PRO

LEU

LYS

PHE

6

SER

LYS

ILE

ASN

THR

GLY

MET

ALA

ASP

ILE

7

LEU

VAL

PHE

ALA

ARG

GLY

ALA

HIS

GLY

8

ASP

PHE

HIS

ALA

PHE

ASP

GLY

LYS

GLY

9

ILE

LEU

ALA

HIS

ALA

PHE

GLY

PRO

GLY

SER

10

GLY

ILE

GLY

ASP

ALA

HIS

PHE

ASP

GLU

11

ASP

GLU

PHE

TRP

THR

HIS

SER

GLY

12

THR

ASN

LEU

PHE

LEU

THR

ALA

VAL

HIS

ALA

13

ILE

GLY

HIS

SER

LEU

GLY

LEU

GLY

HIS

SER

14

SER

ASP

PRO

LYS

ALA

VAL

MET

PHE

PRO

THR

15

TYR

LYS

TYR

VAL

ASP

ILE

ASN

THR

PHE

ARG

16

LEU

SER

ALA

ASP

ILE

ARG

GLY

ILE

GLN

17

SER

LEU

TYR

GLY

Entity 2, ZINC (II) ION, 1 - Zn - 65.409 Da.

1

ZN

Entity 3, CALCIUM (II) ION, 1 - Ca - 40.078 Da.

1

CA

Samples:

sample_1: MMP-12, [U-13C; U-15N], 0.55 mM

sample_2: MMP-12, [U-15N], 0.45 mM

conditions_1: pH: 6.6; temperature: 299 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N HSQC	not available	not available	conditions_1
1H13C HSQC	not available	not available	conditions_1
HNCO	not available	not available	conditions_1
HNCA	not available	not available	conditions_1
CBCACONH	not available	not available	conditions_1
HNCACB	not available	not available	conditions_1
HACACONH	not available	not available	conditions_1
HNNCAHA	not available	not available	conditions_1
CCONH	not available	not available	conditions_1
HCCONH	not available	not available	conditions_1
HCACOCANH	not available	not available	conditions_1
HCCHTOCSY	not available	not available	conditions_1
CCHTOCSY	not available	not available	conditions_1
HBCBCGCDHD(CEHE)	not available	not available	conditions_1
15N ed 3D NOESY HSQC	not available	not available	conditions_1
13C ed 3D NOESY HSQC	not available	not available	conditions_1

Software:

NMRPipe v2.3 - Processing Spectra

SPARKY v3.106 - Assignment, Peak Picking

NMR spectrometers:

Varian INOVA 600 MHz
Bruker DRX 500 MHz

BMRB	15578 6391 6444 7415
PDB	1JIZ 1JK3 1OS2 1OS9 1RMZ 1ROS 1UTT 1UTZ 1Y93 1YCM 1Z3J 2HU6 2K2G 2K9C 2KRJ 2MLR 2MLS 2OXU 2OXW 2OXZ 2POJ 2W0D 2WO8 2WO9 2WOA 2Z2D 3BA0 3EHX 3EHY 3F15 3F16 3F17 3F18 3F19 3F1A 3LIK 3LIL 3LIR 3LJG 3LK8 3LKA 3N2U 3N2V 3NX7 3RTS 3RTT 3TS4 3TSK 3UVC 4EFS 4GQL 4GR0 4GR3 4GR8 4GUY 4H30 4H49 4H76 4H84 4I03 4IJO
DBJ	BAG36675 BAJ20684
GB	AAA58658 AAI12302 AAI43774 AAW29944 ADR83017
REF	NP_002417 XP_003828422 XP_004052087 XP_508724
SP	P39900
AlphaFold	P39900