BMRB Entry 4865

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4865

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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, 15N Chemical shift Assignment for OMTKY3 bound to bovine Chymotrypsin Aa

Deposition date:

2000-10-17

Original release date:

2001-06-01

Authors:

Song, Jikui; Markley, John

Citation:

Citation: Song, Jikui; Markley, John. "NMR Chemical shift mapping of the binding site of a protein proteinase inhibitor: changes in the 1H, 13C and 15N NMR chemical shifts of turkey ovomucoid third domain upon binding to bovine chymotrypsin Aa" J. Mol. Recognit. 14, 166-171 (2001).

Assembly members:

Assembly members:
Ovomucoid Third Domain from Turkey, polymer, 56 residues, Formula weight is not available
bovine chymotrypsin Aa, polymer, 241 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Turkey Taxonomy ID: 9103 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Meleagris Gallopavo

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ovomucoid Third Domain from Turkey: LAAVSVDCSEYPKPACTLEY RPLCGSDNKTYGNKCNFCNA VVESNGTLTLSHFGKC
bovine chymotrypsin Aa: CGVPAIQPVLSGLIVNGEEA VPGSWPWQVSLQDKTGFHFC GGSLINENWVVTAAHCGVTT SDVVVAGEFDQGSSSEKIQK LKIAKVFKNSKYNSLTINND ITLLKLSTAASFSQTVSAVC LPSASDDFAAGTTCVTTGWG LTRYANTPDRLQQASLPLLS NTNCKKYWGTKIKDAMICAG ASGVSSCMGDSGGPLVCKKN GAWTLVGIVSWGSSTCSTST PGVYARVTALVNWVQQTLAA N

Data sets:

assigned_chemical_shifts
- chemical_shifts_OMTKY3_pH7.3

Data type	Count
1H chemical shifts	45
13C chemical shifts	85
15N chemical shifts	46

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	OMTKY3	1
2	bovine chymotrypsin Aa	2

Entities:

Entity 1, OMTKY3 56 residues - Formula weight is not available

1

LEU

ALA

VAL

SER

VAL

ASP

CYS

SER

GLU

2

TYR

PRO

LYS

PRO

ALA

CYS

THR

LEU

GLU

TYR

3

ARG

PRO

LEU

CYS

GLY

SER

ASP

ASN

LYS

THR

4

TYR

GLY

ASN

LYS

CYS

ASN

PHE

CYS

ASN

ALA

5

VAL

GLU

SER

ASN

GLY

THR

LEU

THR

LEU

6

SER

HIS

PHE

GLY

LYS

CYS

Entity 2, bovine chymotrypsin Aa 241 residues - Formula weight is not available

1

CYS

GLY

VAL

PRO

ALA

ILE

GLN

PRO

VAL

LEU

2

SER

GLY

LEU

ILE

VAL

ASN

GLY

GLU

ALA

3

VAL

PRO

GLY

SER

TRP

PRO

TRP

GLN

VAL

SER

4

LEU

GLN

ASP

LYS

THR

GLY

PHE

HIS

PHE

CYS

5

GLY

SER

LEU

ILE

ASN

GLU

ASN

TRP

VAL

6

VAL

THR

ALA

HIS

CYS

GLY

VAL

THR

7

SER

ASP

VAL

ALA

GLY

GLU

PHE

ASP

8

GLN

GLY

SER

GLU

LYS

ILE

GLN

LYS

9

LEU

LYS

ILE

ALA

LYS

VAL

PHE

LYS

ASN

SER

10

LYS

TYR

ASN

SER

LEU

THR

ILE

ASN

ASP

11

ILE

THR

LEU

LYS

LEU

SER

THR

ALA

12

SER

PHE

SER

GLN

THR

VAL

SER

ALA

VAL

CYS

13

LEU

PRO

SER

ALA

SER

ASP

PHE

ALA

14

GLY

THR

CYS

VAL

THR

GLY

TRP

GLY

15

LEU

THR

ARG

TYR

ALA

ASN

THR

PRO

ASP

ARG

16

LEU

GLN

ALA

SER

LEU

PRO

LEU

SER

17

ASN

THR

ASN

CYS

LYS

TYR

TRP

GLY

THR

18

LYS

ILE

LYS

ASP

ALA

MET

ILE

CYS

ALA

GLY

19

ALA

SER

GLY

VAL

SER

CYS

MET

GLY

ASP

20

SER

GLY

PRO

LEU

VAL

CYS

LYS

ASN

21

GLY

ALA

TRP

THR

LEU

VAL

GLY

ILE

VAL

SER

22

TRP

GLY

SER

THR

CYS

SER

THR

SER

THR

23

PRO

GLY

VAL

TYR

ALA

ARG

VAL

THR

ALA

LEU

24

VAL

ASN

TRP

VAL

GLN

THR

LEU

ALA

25

ASN

Samples:

Sample_1: Ovomucoid Third Domain from Turkey, [U-13C; U-15N], 2 mM; bovine chymotrypsin Aa 2 mM

condition_1: pH: 7.3; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	not available	not available	not available
HN(CO)CA	not available	not available	not available
HNCO	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker DMX 600 MHz

Related Database Links:

BMRB	6881 960 961 962 963 964 965 966 967 967 965 963 961 6881
PDB	1AB9 1ACB 1AFQ 1CA0 1CBW 1CGI 1CGJ 1CHG 1CHO 1DLK 1EX3 1GCD 1GCT 1GG6 1GGD 1GHA 1GHB 1GL0 1GL1 1GMC 1GMD 1GMH 1HJA 1K2I 1MTN 1N8O 1OXG 1P2M 1P2N 1P2O 1P2Q 1T7C 1T8L 1T8M 1T8N 1T8O 1VGC 1YPH 2CGA 2CHA 2GCH 2GCT 2GMT 2P8O 2VGC 2Y6T 3BG4 3GCH 3GCT 3RU4 3T62 3VGC 4CHA 4GCH 4Q2K 4VGC 5CHA 5GCH 6CHA 6GCH 7GCH 8GCH 8GCH 7GCH 6GCH 6CHA 5GCH 5CHA 4VGC 4GCH 4CHA 3VGC 3GCT 3GCH 3BG4 2VGC 2P8O 2GMT 2GCT 2GCH 2CHA 2CGA 1YPH 1VGC 1T8O 1T8N 1T8M 1T8L 1T7C 1P2Q 1P2O 1P2N 1P2M 1OXG 1N8O 1MTN 1K2I 1HJA 1GMH 1GMD 1GMC 1GL1 1GL0 1GHB 1GHA 1GGD 1GG6 1GCT 1GCD 1EX3 1DLK 1CHO 1CHG 1CGJ 1CGI 1CBW 1CA0 1AFQ 1ACB 1AB9
REF	XP_003583409 XP_003587247 XP_608091
SP	P00766
SWISS-PROT	P00766
AlphaFold	P00766

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