BMRB Entry 10016

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR10016

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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 1H, 13C and 15N Chemical Shift Assignments for the Nucleotide-Free Form of Human ABCB6 C-Terminal Domain

Deposition date:

2005-12-08

Original release date:

2006-06-27

Authors:

Kurashima-Ito, Kaori; Ikeya, Teppei; Senbongi, Hiroshi; Tochio, Hidehito; Mikawa, Tsutomu; Shibata, Takehiko; Ito, Yutaka

Citation:

Citation: Kurashima-Ito, Kaori; Ikeya, Teppei; Senbongi, Hiroshi; Tochio, Hidehito; Mikawa, Tsutomu; Shibata, Takehiko; Ito, Yutaka. "Heteronuclear multidimensional NMR and homology modelling studies of the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6" J. Biomol. NMR 35, 53-71 (2006).
PubMed: 16791740

Assembly members:

Assembly members:
the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6, polymer, 285 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):
the C-terminal nucleotide-binding domain of the human mitochondrial ABC transporter ABCB6: FIDMENMFDLLKEETEVKDL PGAGPLRFQKGRIEFENVHF SYADGRETLQDVSFTVMPGQ TLALVGPSGAGKSTILRLLF RFYDISSGCIRIDGQDISQV TQASLRSHIGVVPQDTVLFN DTIADNIRYGRVTAGNDEVE AAAQAAGIHDAIMAFPEGYR TQVGERGLKLSGGEKQRVAI ARTILKAPGIILLDEATSAL DTSNERAIQASLAKVCANRT TIVVAHRLSTVVNADQILVI KDGCIVERGRHEALLSRGGV YADMWQLQQGQEETSEDTKP QTMER

Data sets:

assigned_chemical_shifts
- ph85_298K
- ph75_278K

Data type	Count
13C chemical shifts	1016
15N chemical shifts	368
1H chemical shifts	368

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ABCB6-C	1

Entities:

Entity 1, ABCB6-C 285 residues - Formula weight is not available

residues from Phe558 to the C-terminal Arg842

1

PHE

ILE

ASP

MET

GLU

ASN

MET

PHE

ASP

LEU

2

LEU

LYS

GLU

THR

GLU

VAL

LYS

ASP

LEU

3

PRO

GLY

ALA

GLY

PRO

LEU

ARG

PHE

GLN

LYS

4

GLY

ARG

ILE

GLU

PHE

GLU

ASN

VAL

HIS

PHE

5

SER

TYR

ALA

ASP

GLY

ARG

GLU

THR

LEU

GLN

6

ASP

VAL

SER

PHE

THR

VAL

MET

PRO

GLY

GLN

7

THR

LEU

ALA

LEU

VAL

GLY

PRO

SER

GLY

ALA

8

GLY

LYS

SER

THR

ILE

LEU

ARG

LEU

PHE

9

ARG

PHE

TYR

ASP

ILE

SER

GLY

CYS

ILE

10

ARG

ILE

ASP

GLY

GLN

ASP

ILE

SER

GLN

VAL

11

THR

GLN

ALA

SER

LEU

ARG

SER

HIS

ILE

GLY

12

VAL

PRO

GLN

ASP

THR

VAL

LEU

PHE

ASN

13

ASP

THR

ILE

ALA

ASP

ASN

ILE

ARG

TYR

GLY

14

ARG

VAL

THR

ALA

GLY

ASN

ASP

GLU

VAL

GLU

15

ALA

GLN

ALA

GLY

ILE

HIS

ASP

16

ALA

ILE

MET

ALA

PHE

PRO

GLU

GLY

TYR

ARG

17

THR

GLN

VAL

GLY

GLU

ARG

GLY

LEU

LYS

LEU

18

SER

GLY

GLU

LYS

GLN

ARG

VAL

ALA

ILE

19

ALA

ARG

THR

ILE

LEU

LYS

ALA

PRO

GLY

ILE

20

ILE

LEU

ASP

GLU

ALA

THR

SER

ALA

LEU

21

ASP

THR

SER

ASN

GLU

ARG

ALA

ILE

GLN

ALA

22

SER

LEU

ALA

LYS

VAL

CYS

ALA

ASN

ARG

THR

23

THR

ILE

VAL

ALA

HIS

ARG

LEU

SER

THR

24

VAL

ASN

ALA

ASP

GLN

ILE

LEU

VAL

ILE

25

LYS

ASP

GLY

CYS

ILE

VAL

GLU

ARG

GLY

ARG

26

HIS

GLU

ALA

LEU

SER

ARG

GLY

VAL

27

TYR

ALA

ASP

MET

TRP

GLN

LEU

GLN

GLY

28

GLN

GLU

THR

SER

GLU

ASP

THR

LYS

PRO

29

GLN

THR

MET

GLU

ARG

Samples:

sample_1: human ABCB6-C in the nucleotide-free form, [U-2H; U-13C; U-15N], 0.2 mM

condition_1: pH: 8.5; temperature: 298 K

condition_2: pH: 7.5; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N TROSY-HSQC	sample_1	not available	not available
TROSY-HNCA	sample_1	not available	not available
TROSY-HN(CO)CA	sample_1	not available	not available
TROSY-HN(CA)CB	sample_1	not available	not available
TROSY-HN(COCA)CB	sample_1	not available	not available
TROSY-HN(CA)CO	sample_1	not available	not available
TRSOY-HNCO	sample_1	not available	not available

Software:

XWIN-NMR v3.5, Bruker - collection

AZARA v2.7, Wayne Boucher & Dept. Biochemistry, Univ. Cambridge - processing

ANSIG-for-OpenGL v1.0.6, Per Kraulis - assignment

NMR spectrometers:

Bruker DRX 600 MHz

BMRB	10017
PDB	3NH6 3NH9 3NHA 3NHB
DBJ	BAA96733 BAB71347 BAD18782 BAK62401 BAK62910
EMBL	CAB95766
GB	AAC28653 AAF75107 AAG33617 AAH00559 AAH43423
REF	NP_005680 XP_001161097 XP_002799099 XP_002799100 XP_002812920
SP	Q9NP58
AlphaFold	Q9NP58