BMRBj - BMREntryMaster

Found 1 Document (0.657 seconds)

BMRB: 15900

2K72

MMP23, a metalloprotease with a toxin-like potassium channel blocking domain and immunomodulatory role with relevance in prostate cancer

Authors

Khoo, K.K., Feng, Z.

Assembly

MMP23-BgK

Entity

1. MMP23-BgK (polymer, Thiol state: all disulfide bound), 37 monomers, 4434.269 Da Detail

YGCLDRIFVC TSWARKGFCD VRQRLMKRLC PRSCDFC

Formula weight

4434.269 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS37:SG
2	disulfide	sing	1:CYS10:SG	1:CYS30:SG
3	disulfide	sing	1:CYS19:SG	1:CYS34:SG

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.2 %, Completeness (bb): 98.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	99.2 % (234 of 236)	99.2 % (234 of 236)
Backbone	98.7 % (74 of 75)	98.7 % (74 of 75)
Sidechain	99.4 % (160 of 161)	99.4 % (160 of 161)
Aromatic	96.0 % (24 of 25)	96.0 % (24 of 25)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. MMP23-BgK

YGCLDRIFVC TSWARKGFCD VRQRLMKRLC PRSCDFC

Show sample condition

Sample #1

Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Type	Concentration
4	MMP23-BgK	natural abundance		2.2-2.3 mM
5	D2O	[U-100% 2H]		100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2K72, Strand ID: A Detail

Release date

2009-12-10

Citation

Potassium channel modulation by a toxin domain in matrix metalloprotease 23
Rangaraju, S., Khoo, K.K., Feng, Z., Crossley, G., Nugent, D., Khaytin, I., Chi, V., Pham, C., Calabresi, P., Pennington, M.W., Norton, R.S., Chandy, K.
J. Biol. Chem. (2010), 285, 9124-9136, PubMed 19965868 , DOI 10.1074/jbc.M109.071266 , Abstract

Related entities 1. MMP23-BgK, : 1 : 2 : 2 : 56 entities Detail

Interaction partners 1. MMP23-BgK, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 9 experiments Detail

1 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 278 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

2 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 278 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

3 2D DQF-COSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

4 2D 1H-13C HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

5 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

6 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 5.00

#	Name	Isotope labeling	Type	Concentration
4	MMP23-BgK	natural abundance		2.2-2.3 mM
5	D2O	[U-100% 2H]		100 %

7 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 278 K, pH 5.00

#	Name	Isotope labeling	Type	Concentration
4	MMP23-BgK	natural abundance		2.2-2.3 mM
5	D2O	[U-100% 2H]		100 %

8 2D 1H-1H TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

9 2D 1H-1H NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 94% H2O/6% D2O, Pressure 1 atm, Temperature 293 K, pH 5.00

#	Name	Isotope labeling	Concentration
1	MMP23-BgK	natural abundance	2.26 mM
2	H2O	natural abundance	94 %
3	D2O	[U-100% 2H]	6 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15900_2k72.nef
Input source #2: Coordindates	2k72.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:3:CYS:SG	A:37:CYS:SG	unknown	unknown	2.02
A:10:CYS:SG	A:30:CYS:SG	unknown	unknown	2.019
A:19:CYS:SG	A:34:CYS:SG	unknown	unknown	2.021

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30-------
YGCLDRIFVCTSWARKGFCDVRQRLMKRLCPRSCDFC
|||||||||||||||||||||||||||||||||||||
YGCLDRIFVCTSWARKGFCDVRQRLMKRLCPRSCDFC

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	37	0	0	100.0

Content subtype: combined_15900_2k72.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	3		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	240		100.0 (chain: A, length: 37)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	36 (36)	.	64.9 (chain: A, length: 37)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 240
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
16	LYS	HZ1	7.68
16	LYS	HZ2	7.68
16	LYS	HZ3	7.68
27	LYS	HZ1	7.46
27	LYS	HZ2	7.46
27	LYS	HZ3	7.46

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	236	234	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	75	74	98.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	161	160	99.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	24	96.0

Covalent bonds

Saveframe: assembly
- Status: OK

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 37, Sequence coverage: 64.9%
- Total number of restraints: 36
- Total number of restraints per polymer type: 36
- Weight of restraints: 1.0 (36)
- Potential type of restraints: square-well-parabolic (36)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords metalloprotease, MMP23, potassium channel, toxin

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.657 seconds)

BMRB: 15900

Sample #1

Sample #2

Related entities 1. MMP23-BgK, : 1 : 2 : 2 : 56 entities Detail

Interaction partners 1. MMP23-BgK, : 1 interactors Detail

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 4 contents Detail