BMRB Entry 4568

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4568

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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:

Native and non-native secondary structure and dynamics in the pH 4 intermediate of apomyoglobin

Deposition date:

2000-01-04

Original release date:

2000-05-25

Authors:

Eliezer, David; Chung, John; Dyson, Jane; Wright, Peter

Citation:

Citation: Eliezer, David; Chung, John; Dyson, Jane; Wright, Peter. "Native and non-native secondary structure and dynamics in the pH 4 intermediate of apomyoglobin" Biochemistry ., .-..

Assembly members:

Assembly members:
myoglobin, polymer, 153 residues, Formula weight is not available

Natural source:

Natural source: Common Name: sperm whale Taxonomy ID: 9755 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Physeter catodon

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
myoglobin: VLSEGEWQLVLHVWAKVEAD VAGHGQDILIRLFKSHPETL EKFDRFKHLKTEAEMKASED LKKHGVTVLTALGAILKKKG HHEAELKPLAQSHATKHKIP IKYLEFISEAIIHVLHSRHP GDFGADAQGAMNKALELFRK DIAAKYKELGYQG

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	286
13C chemical shifts	429
15N chemical shifts	149

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apoMb	1

Entities:

Entity 1, apoMb 153 residues - Formula weight is not available

1

VAL

LEU

SER

GLU

GLY

GLU

TRP

GLN

LEU

VAL

2

LEU

HIS

VAL

TRP

ALA

LYS

VAL

GLU

ALA

ASP

3

VAL

ALA

GLY

HIS

GLY

GLN

ASP

ILE

LEU

ILE

4

ARG

LEU

PHE

LYS

SER

HIS

PRO

GLU

THR

LEU

5

GLU

LYS

PHE

ASP

ARG

PHE

LYS

HIS

LEU

LYS

6

THR

GLU

ALA

GLU

MET

LYS

ALA

SER

GLU

ASP

7

LEU

LYS

HIS

GLY

VAL

THR

VAL

LEU

THR

8

ALA

LEU

GLY

ALA

ILE

LEU

LYS

GLY

9

HIS

GLU

ALA

GLU

LEU

LYS

PRO

LEU

ALA

10

GLN

SER

HIS

ALA

THR

LYS

HIS

LYS

ILE

PRO

11

ILE

LYS

TYR

LEU

GLU

PHE

ILE

SER

GLU

ALA

12

ILE

HIS

VAL

LEU

HIS

SER

ARG

HIS

PRO

13

GLY

ASP

PHE

GLY

ALA

ASP

ALA

GLN

GLY

ALA

14

MET

ASN

LYS

ALA

LEU

GLU

LEU

PHE

ARG

LYS

15

ASP

ILE

ALA

LYS

TYR

LYS

GLU

LEU

GLY

16

TYR

GLN

GLY

Samples:

sample_1: myoglobin, [U-95% 13C; U-90% 15N; U-80% 2H], 0.3 mM; sodium acetate, [U-90% 2H], 10 mM; ethanol, [U-90% 2H], 10 % by volume

ex-cond_1: pH: 4.1; temperature: 323 K; ionic strength: 0.005 M

Experiments:

Name	Sample	Sample state	Sample conditions
HNCO	sample_1	not available	ex-cond_1
H(CA)CO(CA)NH	sample_1	not available	ex-cond_1
HNCA	sample_1	not available	ex-cond_1
HN(CO)CA	sample_1	not available	ex-cond_1
HN(CA)CB	sample_1	not available	ex-cond_1
CBCA(CO)NH	sample_1	not available	ex-cond_1
1H-15N HSQC-NOESY-HSQC	sample_1	not available	ex-cond_1

Software:

FELIX v4.2 - data processing

NMR spectrometers:

Bruker DMX 750 MHz

Related Database Links:

BMRB	1027 1029 1200 1413 1455 1457 1459 1461 1463 1465 1467 1469 1471 15589 16217 16218 16499 16500 16501 1752 2345 2346 2347 2348 2431 2432 2433 2434 291 292 293 40 4061 4062 426 4676 4695
PDB	101M 102M 103M 104M 105M 106M 107M 108M 109M 110M 111M 112M 1A6G 1A6K 1A6M 1A6N 1ABS 1AJG 1AJH 1BVC 1BVD 1BZ6 1BZP 1BZR 1CH1 1CH2 1CH3 1CH5 1CH7 1CH9 1CIK 1CIO 1CO8 1CO9 1CP0 1CP5 1CPW 1CQ2 1DO1 1DO3 1DO4 1DO7 1DTI 1DTM 1DUK 1DUO 1DXC 1DXD 1EBC 1F63 1F65 1F6H 1FCS 1H1X 1HJT 1IOP 1IRC 1J3F 1J52 1JDO 1JP6 1JP8 1JP9 1JPB 1JW8 1L2K 1LTW 1LUE 1MBC 1MBD 1MBI 1MBN 1MBO 1MCY 1MGN 1MLF 1MLG 1MLH 1MLJ 1MLK 1MLL 1MLM 1MLN 1MLO 1MLQ 1MLR 1MLS 1MLU 1MOA 1MOB 1MOC 1MOD 1MTI 1MTJ 1MTK 1MYF 1MYM 1MYZ 1MZ0 1N9F 1N9H 1N9I 1N9X 1NAZ 1O16 1OBM 1OFJ 1OFK 1SPE 1SWM 1TES 1U7R 1U7S 1UFJ 1UFP 1V9Q 1VXA 1VXB 1VXC 1VXD 1VXE 1VXF 1VXG 1VXH 1WVP 1YOG 1YOH 1YOI 2BLH 2BLI 2BLJ 2BW9 2BWH 2CMM 2D6C 2E2Y 2EB8 2EB9 2EF2 2EKT 2EKU 2EVK 2EVP 2G0R 2G0S 2G0V 2G0X 2G0Z 2G10 2G11 2G12 2G14 2JHO 2MB5 2MBW 2MGA 2MGB 2MGC 2MGD 2MGE 2MGF 2MGG 2MGH 2MGI 2MGJ 2MGK 2MGL 2MGM 2MYA 2MYB 2MYC 2MYD 2MYE 2OH8 2OH9 2OHA 2OHB 2SPL 2SPM 2SPN 2SPO 2W6W 2W6X 2W6Y 2Z6S 2Z6T 2ZSN 2ZSO 2ZSP 2ZSQ 2ZSR 2ZSS 2ZST 2ZSX 2ZSY 2ZSZ 2ZT0 2ZT1 2ZT2 2ZT3 2ZT4 3A2G 3ASE 3E4N 3E55 3E5I 3E5O 3ECL 3ECX 3ECZ 3ED9 3EDA 3EDB 3H57 3H58 3K9Z 3M38 3M39 3M3A 3M3B 3MN0 3NML 3O89 3OGB 3SDN 3U3E 4FWX 4FWY 4FWZ 4H07 4H0B 4IT8 4LPI 4MBN 4MXK 4MXL 4NXA 4NXC 4OF9 4OOD 4PNJ 4PQ6 4PQB 4PQC 4QAU 4TYX 5C6Y 5MBN
DBJ	BAF03579
GB	AAA72199
PRF	742482A
REF	NP_001277651
SP	P02185
AlphaFold	P02185

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks