BMRB Entry 4193

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4193

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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:

Sequence-Specific 1H, 15N and 13C Assignment of Adenylate Kinase from Escherichia coli in Complex with the Inhibitor AP5A

Deposition date:

1998-08-21

Original release date:

1999-09-30

Authors:

Meirovitch, Eva; Sinev, Michael; Sineva, Elena

Citation:

Citation: Meirovitch, Eva; Sinev, Michael; Sineva, Elena. "Letter to the Editor: Sequence-Specific 1H, 15N and 13C Assignment of Adenylate Kinase from Escherichia coli in Complex with the Inhibitor AP5A" J. Biomol. NMR 13, 195-196 (1999).

Assembly members:

Assembly members:
Adenylate kinase, polymer, 214 residues, Formula weight is not available
AP5, non-polymer, 916.367 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Adenylate kinase: MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_one

Data type	Count
13C chemical shifts	859
15N chemical shifts	220
1H chemical shifts	1424

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Akeco	1
2	AP5	2

Entities:

Entity 1, Akeco 214 residues - Formula weight is not available

1

MET

ARG

ILE

LEU

GLY

ALA

PRO

GLY

2

ALA

GLY

LYS

GLY

THR

GLN

ALA

GLN

PHE

ILE

3

MET

GLU

LYS

TYR

GLY

ILE

PRO

GLN

ILE

SER

4

THR

GLY

ASP

MET

LEU

ARG

ALA

VAL

LYS

5

SER

GLY

SER

GLU

LEU

GLY

LYS

GLN

ALA

LYS

6

ASP

ILE

MET

ASP

ALA

GLY

LYS

LEU

VAL

THR

7

ASP

GLU

LEU

VAL

ILE

ALA

LEU

VAL

LYS

GLU

8

ARG

ILE

ALA

GLN

GLU

ASP

CYS

ARG

ASN

GLY

9

PHE

LEU

ASP

GLY

PHE

PRO

ARG

THR

ILE

10

PRO

GLN

ALA

ASP

ALA

MET

LYS

GLU

ALA

GLY

11

ILE

ASN

VAL

ASP

TYR

VAL

LEU

GLU

PHE

ASP

12

VAL

PRO

ASP

GLU

LEU

ILE

VAL

ASP

ARG

ILE

13

VAL

GLY

ARG

VAL

HIS

ALA

PRO

SER

GLY

14

ARG

VAL

TYR

HIS

VAL

LYS

PHE

ASN

PRO

15

LYS

VAL

GLU

GLY

LYS

ASP

VAL

THR

GLY

16

GLU

LEU

THR

ARG

LYS

ASP

GLN

17

GLU

THR

VAL

ARG

LYS

ARG

LEU

VAL

GLU

18

TYR

HIS

GLN

MET

THR

ALA

PRO

LEU

ILE

GLY

19

TYR

SER

LYS

GLU

ALA

GLU

ALA

GLY

ASN

20

THR

LYS

TYR

ALA

LYS

VAL

ASP

GLY

THR

LYS

21

PRO

VAL

ALA

GLU

VAL

ARG

ALA

ASP

LEU

GLU

22

LYS

ILE

LEU

GLY

Entity 2, AP5 - C20 H29 N10 O22 P5 - 916.367 Da.

1

AP5

Samples:

sample_one: Adenylate kinase/AP5A complex, [U-15N], 2.7 – 5.7 mM; sodium-phosphate buffer 40 mM; sodium azide 1 uM; H2O 95%; D2O 5%

sample_two: Adenylate kinase/AP5A complex, [U-15N; U-13C], 2.7 – 5.7 mM; sodium-phosphate buffer 40 mM; sodium azide 1 uM; H2O 95%; D2O 5%

sample_conditions_one: pH: 6.8; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCACB	sample_one	not available	sample_conditions_one
CCONH	sample_one	not available	sample_conditions_one
HCCONH	sample_one	not available	sample_conditions_one
15N HSQC	sample_one	not available	sample_conditions_one
13C,HSQC	sample_one	not available	sample_conditions_one
HCCH_TOCSY	sample_one	not available	sample_conditions_one
HCCH_COSY	sample_one	not available	sample_conditions_one
3D N_NOESY	sample_one	not available	sample_conditions_one
3D C_NOESY	sample_one	not available	sample_conditions_one
3D CBCA(CO)NH	sample_one	not available	sample_conditions_one
3D HBHA(CBCACO)NH	sample_one	not available	sample_conditions_one
HNCO	sample_one	not available	sample_conditions_one

Software:

No software information available

NMR spectrometers:

unknown unknown 0 MHz

BMRB	18683 18685 18686 18687 19089 19090 19091 19092 19093 25353 25357 25360 25361 25362 4152 4350
PDB	1AKE 1ANK 1E4V 1E4Y 2ECK 3HPQ 3HPR 3X2S 4AKE 4JZK 4X8H 4X8L 4X8M 4X8O
DBJ	BAA14303 BAB33950 BAE76253 BAG76023 BAI23848
EMBL	CAA26840 CAF33430 CAF33431 CAF33432 CAF33433
GB	AAA23461 AAB40228 AAC73576 AAG54823 AAM94352
REF	NP_308554 NP_415007 NP_706367 WP_001220233 WP_001220235
SP	A7ZIN4 A7ZXD2 B1IZC0 B1LJN2 B1XFR1
AlphaFold	A7ZIN4 A7ZXD2 B1IZC0 B1LJN2 B1XFR1