BMRB Entry 19207

Name: backbone NMR assignments for human apo-HDHD4
Published: 2013-05-29

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19207

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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:

backbone NMR assignments for human apo-HDHD4

Deposition date:

2013-04-30

Original release date:

2013-05-29

Authors:

Constantine, Keith; Kim, Soong-hoon

Citation:

Citation: Constantine, Keith; Kim, Soong-hoon. "design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex" .

Assembly members:

Assembly members:
HDHD4, polymer, 241 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 Host organism: Escherichia coli Vector: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HDHD4: MRAVFFDLDNTLIDTAGASR RGMLEVIKLLQSKYHYKEEA EIICDKVQVKLSKECFHPYN TCITDLRTSHWEEAIQETKG GAANRKLAEECYFLWKSTRL QHMTLAEDVKAMLTELRKEV RLLLLTNGDRQTQREKIEAC ACQSYFDAVVVGGEQREEKP APSIFYYCCNLLGVQPGDCV MVGDTLETDIQGGLNAGLKA TVWINKNGIVPLKSSPVPHY MVSSVLELPALLQSIDCLVP R

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	610
15N chemical shifts	201
1H chemical shifts	201

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HDHD4	1

Entities:

Entity 1, HDHD4 241 residues - Formula weight is not available

1

MET

ARG

ALA

VAL

PHE

ASP

LEU

ASP

ASN

2

THR

LEU

ILE

ASP

THR

ALA

GLY

ALA

SER

ARG

3

ARG

GLY

MET

LEU

GLU

VAL

ILE

LYS

LEU

4

GLN

SER

LYS

TYR

HIS

TYR

LYS

GLU

ALA

5

GLU

ILE

CYS

ASP

LYS

VAL

GLN

VAL

LYS

6

LEU

SER

LYS

GLU

CYS

PHE

HIS

PRO

TYR

ASN

7

THR

CYS

ILE

THR

ASP

LEU

ARG

THR

SER

HIS

8

TRP

GLU

ALA

ILE

GLN

GLU

THR

LYS

GLY

9

GLY

ALA

ASN

ARG

LYS

LEU

ALA

GLU

10

CYS

TYR

PHE

LEU

TRP

LYS

SER

THR

ARG

LEU

11

GLN

HIS

MET

THR

LEU

ALA

GLU

ASP

VAL

LYS

12

ALA

MET

LEU

THR

GLU

LEU

ARG

LYS

GLU

VAL

13

ARG

LEU

THR

ASN

GLY

ASP

ARG

14

GLN

THR

GLN

ARG

GLU

LYS

ILE

GLU

ALA

CYS

15

ALA

CYS

GLN

SER

TYR

PHE

ASP

ALA

VAL

16

VAL

GLY

GLU

GLN

ARG

GLU

LYS

PRO

17

ALA

PRO

SER

ILE

PHE

TYR

CYS

ASN

18

LEU

GLY

VAL

GLN

PRO

GLY

ASP

CYS

VAL

19

MET

VAL

GLY

ASP

THR

LEU

GLU

THR

ASP

ILE

20

GLN

GLY

LEU

ASN

ALA

GLY

LEU

LYS

ALA

21

THR

VAL

TRP

ILE

ASN

LYS

ASN

GLY

ILE

VAL

22

PRO

LEU

LYS

SER

PRO

VAL

PRO

HIS

TYR

23

MET

VAL

SER

VAL

LEU

GLU

LEU

PRO

ALA

24

LEU

GLN

SER

ILE

ASP

CYS

LEU

VAL

PRO

25

ARG

Samples:

sample_1: HDHD4, [U-100% 13C; U-100% 15N; U-80% 2H], 1.0 mM; H2O 93%; D2O 7%; d-TrisHCL 25 mM; NaCl 50 mM; d-DTT 1 mM; d-BME 1 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HCACO	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1

Software:

FELIX, Accelrys Software Inc. - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	19209
PDB	2W4M 4KNV
DBJ	BAG51524
GB	AAH22552 ACE86671 ACE87355 ADQ31846 AIC53137
REF	NP_001253086 NP_689880 XP_002747573 XP_002830094 XP_003278554
SP	Q8TBE9
AlphaFold	Q8TBE9