BMRB Entry 7231

Name: Solution structure of the heme-binding protein p22HBP
Published: 2006-10-19

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7231

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of the heme-binding protein p22HBP PubMed: 16905148

Deposition date: 2006-07-14 Original release date: 2006-10-19

Authors: Gell, D.; Mackay, J.

Citation: Gell, D.; Westmann, B.; Gorman, D.; Liew, C.; Welch, J.; Weiss, M.; Mackay, J.. "A novel haem-binding interface in the 22 kDa haem-binding protein p22HBP" J. Mol. Biol. 362, 287-297 (2006).

Assembly members:
22 kDa heme binding protein, polymer, 192 residues, 21197 Da.

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-4T2

Entity Sequences (FASTA):
22 kDa heme binding protein: GSMLGMIRNSLFGSVETWPW QVLSTGGKEDVSYEERACEG GKFATVEVTDKPVDEALREA MPKIMKYVGGTNDKGVGMGM TVPVSFAVFPNEDGSLQKKL KVWFRIPNQFQGSPPAPSDE SVKIEEREGITVYSTQFGGY AKEADYVAHATQLRTTLEGT PATYQGDVYYCAGYDPPMKP YGRRNEVWLVKA

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- J_HNHA

Data type	Count
13C chemical shifts	565
15N chemical shifts	172
1H chemical shifts	1082
coupling constants	53

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Heme-binding protein 1, p22HBP	1

Entities:

Entity 1, Heme-binding protein 1, p22HBP 192 residues - 21197 Da.

1

GLY

SER

MET

LEU

GLY

MET

ILE

ARG

ASN

SER

2

LEU

PHE

GLY

SER

VAL

GLU

THR

TRP

PRO

TRP

3

GLN

VAL

LEU

SER

THR

GLY

LYS

GLU

ASP

4

VAL

SER

TYR

GLU

ARG

ALA

CYS

GLU

GLY

5

GLY

LYS

PHE

ALA

THR

VAL

GLU

VAL

THR

ASP

6

LYS

PRO

VAL

ASP

GLU

ALA

LEU

ARG

GLU

ALA

7

MET

PRO

LYS

ILE

MET

LYS

TYR

VAL

GLY

8

THR

ASN

ASP

LYS

GLY

VAL

GLY

MET

GLY

MET

9

THR

VAL

PRO

VAL

SER

PHE

ALA

VAL

PHE

PRO

10

ASN

GLU

ASP

GLY

SER

LEU

GLN

LYS

LEU

11

LYS

VAL

TRP

PHE

ARG

ILE

PRO

ASN

GLN

PHE

12

GLN

GLY

SER

PRO

ALA

PRO

SER

ASP

GLU

13

SER

VAL

LYS

ILE

GLU

ARG

GLU

GLY

ILE

14

THR

VAL

TYR

SER

THR

GLN

PHE

GLY

TYR

15

ALA

LYS

GLU

ALA

ASP

TYR

VAL

ALA

HIS

ALA

16

THR

GLN

LEU

ARG

THR

LEU

GLU

GLY

THR

17

PRO

ALA

THR

TYR

GLN

GLY

ASP

VAL

TYR

18

CYS

ALA

GLY

TYR

ASP

PRO

MET

LYS

PRO

19

TYR

GLY

ARG

ASN

GLU

VAL

TRP

LEU

VAL

20

LYS

ALA

Samples:

sample_1: 22 kDa heme binding protein, [U-95% 13C; U-95% 15N], 0.5 – 1.0 mM; sodium phosphate (Ha2HPO4/NaH2PO4) 20 mM; 5,5-dimethylsilapentanesulfonate 0.002 mM; D2O 5%

sample_2: 22 kDa heme binding protein, [U-95% 13C; U-95% 15N], 0.5 – 1.0 mM; sodium phosphate (Ha2HPO4/NaH2PO4) 20 mM; 5,5-dimethylsilapentanesulfonate 0.002 mM; D2O%

sample_cond_1: ionic strength: 20 mM; pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNHA	not available	not available	not available
2D NOESY	not available	not available	not available
3D 13C-separated NOESY	not available	not available	not available

Software:

xwinnmr v3.5 patchlevel 6 - collection

SPARKY v3.110 - data analysis

DYANA v5.1 - structure solution

CNS v1.1 - refinement

NMR spectrometers:

Bruker AVANCE 800 MHz

BMRB	17953 6620
PDB	2GOV 2HVA 4A1M
DBJ	BAA33770
EMBL	CAJ18470
GB	AAD32096 AAH12654 AAI68221 EDL10544 EDM01631
REF	NP_001102121 NP_038574 XP_006237591
SP	Q9R257
AlphaFold	Q9R257

Biological Magnetic Resonance Data Bank