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BMRB: 16813

2KNB

Solution NMR structure of the parkin Ubl domain in complex with the endophilin-A1 SH3 domain

Authors

Trempe, J., Guennadi, K., Edna, C.M., Kalle, G.

Assembly

complex of Ubl and SH3

Entity

1. Ubl (polymer, Thiol state: all free), 81 monomers, 9138.359 Da Detail

GPLGSMIVFV RFNSSYGFPV EVDSDTSIFQ LKEVVAKRQG VPADQLRVIF AGKELQNHLT VQNCDLEQQS IVHIVQRPQR K

2. SH3 (polymer, Thiol state: all free), 71 monomers, 7975.738 Da Detail

GSRRASVGSD QPCCRALYDF EPENEGELGF KEGDIITLTN QIDENWYEGM LHGQSGFFPI NYVEILVALP H

Total weight

17114.098 Da

Max. entity weight

9138.359 Da

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 73.2 %, Completeness (bb): 75.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	73.2 % (1306 of 1784)	78.2 % (727 of 930)	61.9 % (427 of 690)	92.7 % (152 of 164)
Backbone	75.4 % (676 of 896)	87.7 % (271 of 309)	61.9 % (274 of 443)	91.0 % (131 of 144)
Sidechain	72.8 % (748 of 1027)	72.9 % (453 of 621)	71.2 % (275 of 386)	100.0 % (20 of 20)
Aromatic	36.0 % (54 of 150)	42.7 % (32 of 75)	28.4 % (21 of 74)	100.0 % (1 of 1)
Methyl	72.0 % (118 of 164)	67.1 % (55 of 82)	76.8 % (63 of 82)

1. Ubl

GPLGSMIVFV RFNSSYGFPV EVDSDTSIFQ LKEVVAKRQG VPADQLRVIF AGKELQNHLT VQNCDLEQQS IVHIVQRPQR K

2. SH3

GSRRASVGSD QPCCRALYDF EPENEGELGF KEGDIITLTN QIDENWYEGM LHGQSGFFPI NYVEILVALP H

Show sample condition

Sample #1

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Ubl	[U-99% 13C; U-99% 15N]	1.2 (±0.1) mM
2	SH3	natural abundance	1.2 (±0.1) mM
3	D2O	natural abundance	100 %
4	HEPES	natural abundance	10 mM
5	NaCl	natural abundance	50 mM
6	DTT	natural abundance	1 mM
7	EDTA	natural abundance	0.1 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	SH3	[U-99% 13C; U-99% 15N]	1.2 mM
9	Ubl	natural abundance	1.2 mM
10	D2O	natural abundance	100 %
11	HEPES	natural abundance	10 mM
12	NaCl	natural abundance	50 mM
13	DTT	natural abundance	1 mM
14	EDTA	natural abundance	0.1 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	Ubl	[U-99% 13C; U-99% 15N]	0.8 mM
16	SH3	natural abundance	1.6 mM
17	D2O	natural abundance	5 %
18	H2O	natural abundance	95 %
19	HEPES	natural abundance	10 mM
20	NaCl	natural abundance	50 mM
21	DTT	natural abundance	1 mM
22	EDTA	natural abundance	0.1 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	SH3	[U-99% 13C; U-99% 15N]	0.8 mM
24	Ubl	natural abundance	1.6 mM
25	D2O	natural abundance	5 %
26	H2O	natural abundance	95 %
27	HEPES	natural abundance	10 mM
28	NaCl	natural abundance	50 mM
29	DTT	natural abundance	1 mM
30	EDTA	natural abundance	0.1 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
31	Ubl	[U-99% 15N]	0.8 mM
32	SH3	natural abundance	1.6 mM
33	D2O	natural abundance	5 %
34	H2O	natural abundance	95 %
35	polyacrylamide	natural abundance	4.5 %
36	HEPES	natural abundance	10 mM
37	NaCl	natural abundance	50 mM
38	DTT	natural abundance	1 mM
39	EDTA	natural abundance	0.1 mM

Sample #6

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
40	SH3	[U-99% 15N]	0.8 mM
41	Ubl	natural abundance	1.6 mM
42	D2O	natural abundance	5 %
43	H2O	natural abundance	95 %
44	polyacrylamide	natural abundance	4.5 %
45	HEPES	natural abundance	10 mM
46	NaCl	natural abundance	50 mM
47	DTT	natural abundance	1 mM
48	EDTA	natural abundance	0.1 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.36 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.36 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-05-18

Citation

SH3 domains from a subset of BAR proteins define a Ubl-binding domain and implicate parkin in synaptic ubiquitination
Trempe, J., Chen, C., Grenier, K., Camacho, E., Kozlov, G., McPherson, P.S., Gehring, K., Fon, E.A.
Mol. Cell (2009), 36, 1034-1047, PubMed 20064468 , DOI 10.1016/j.molcel.2009.11.021 , Abstract

Related entities 1. Ubl, : 1 : 2 : 2 : 728 entities Detail

Related entities 2. SH3, : 2 : 50 entities Detail

Interaction partners 1. Ubl, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 18 experiments Detail

1 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	Ubl	[U-99% 13C; U-99% 15N]	0.8 mM
16	SH3	natural abundance	1.6 mM
17	D2O	natural abundance	5 %
18	H2O	natural abundance	95 %
19	HEPES	natural abundance	10 mM
20	NaCl	natural abundance	50 mM
21	DTT	natural abundance	1 mM
22	EDTA	natural abundance	0.1 mM

2 3D HNCACB

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	Ubl	[U-99% 13C; U-99% 15N]	0.8 mM
16	SH3	natural abundance	1.6 mM
17	D2O	natural abundance	5 %
18	H2O	natural abundance	95 %
19	HEPES	natural abundance	10 mM
20	NaCl	natural abundance	50 mM
21	DTT	natural abundance	1 mM
22	EDTA	natural abundance	0.1 mM

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	SH3	[U-99% 13C; U-99% 15N]	0.8 mM
24	Ubl	natural abundance	1.6 mM
25	D2O	natural abundance	5 %
26	H2O	natural abundance	95 %
27	HEPES	natural abundance	10 mM
28	NaCl	natural abundance	50 mM
29	DTT	natural abundance	1 mM
30	EDTA	natural abundance	0.1 mM

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	SH3	[U-99% 13C; U-99% 15N]	0.8 mM
24	Ubl	natural abundance	1.6 mM
25	D2O	natural abundance	5 %
26	H2O	natural abundance	95 %
27	HEPES	natural abundance	10 mM
28	NaCl	natural abundance	50 mM
29	DTT	natural abundance	1 mM
30	EDTA	natural abundance	0.1 mM

5 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	Ubl	[U-99% 13C; U-99% 15N]	0.8 mM
16	SH3	natural abundance	1.6 mM
17	D2O	natural abundance	5 %
18	H2O	natural abundance	95 %
19	HEPES	natural abundance	10 mM
20	NaCl	natural abundance	50 mM
21	DTT	natural abundance	1 mM
22	EDTA	natural abundance	0.1 mM

6 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
23	SH3	[U-99% 13C; U-99% 15N]	0.8 mM
24	Ubl	natural abundance	1.6 mM
25	D2O	natural abundance	5 %
26	H2O	natural abundance	95 %
27	HEPES	natural abundance	10 mM
28	NaCl	natural abundance	50 mM
29	DTT	natural abundance	1 mM
30	EDTA	natural abundance	0.1 mM

7 3D HCCH-COSY

Instrument

Varian INOVA - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Ubl	[U-99% 13C; U-99% 15N]	1.2 (±0.1) mM
2	SH3	natural abundance	1.2 (±0.1) mM
3	D2O	natural abundance	100 %
4	HEPES	natural abundance	10 mM
5	NaCl	natural abundance	50 mM
6	DTT	natural abundance	1 mM
7	EDTA	natural abundance	0.1 mM

8 3D HCCH-COSY

Instrument

Varian INOVA - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	SH3	[U-99% 13C; U-99% 15N]	1.2 mM
9	Ubl	natural abundance	1.2 mM
10	D2O	natural abundance	100 %
11	HEPES	natural abundance	10 mM
12	NaCl	natural abundance	50 mM
13	DTT	natural abundance	1 mM
14	EDTA	natural abundance	0.1 mM

9 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Ubl	[U-99% 13C; U-99% 15N]	1.2 (±0.1) mM
2	SH3	natural abundance	1.2 (±0.1) mM
3	D2O	natural abundance	100 %
4	HEPES	natural abundance	10 mM
5	NaCl	natural abundance	50 mM
6	DTT	natural abundance	1 mM
7	EDTA	natural abundance	0.1 mM

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	SH3	[U-99% 13C; U-99% 15N]	1.2 mM
9	Ubl	natural abundance	1.2 mM
10	D2O	natural abundance	100 %
11	HEPES	natural abundance	10 mM
12	NaCl	natural abundance	50 mM
13	DTT	natural abundance	1 mM
14	EDTA	natural abundance	0.1 mM

11 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Ubl	[U-99% 13C; U-99% 15N]	1.2 (±0.1) mM
2	SH3	natural abundance	1.2 (±0.1) mM
3	D2O	natural abundance	100 %
4	HEPES	natural abundance	10 mM
5	NaCl	natural abundance	50 mM
6	DTT	natural abundance	1 mM
7	EDTA	natural abundance	0.1 mM

12 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	SH3	[U-99% 13C; U-99% 15N]	1.2 mM
9	Ubl	natural abundance	1.2 mM
10	D2O	natural abundance	100 %
11	HEPES	natural abundance	10 mM
12	NaCl	natural abundance	50 mM
13	DTT	natural abundance	1 mM
14	EDTA	natural abundance	0.1 mM

13 2D 1H-15N IPAP-HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
31	Ubl	[U-99% 15N]	0.8 mM
32	SH3	natural abundance	1.6 mM
33	D2O	natural abundance	5 %
34	H2O	natural abundance	95 %
35	polyacrylamide	natural abundance	4.5 %
36	HEPES	natural abundance	10 mM
37	NaCl	natural abundance	50 mM
38	DTT	natural abundance	1 mM
39	EDTA	natural abundance	0.1 mM

14 2D 1H-15N IPAP-HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
40	SH3	[U-99% 15N]	0.8 mM
41	Ubl	natural abundance	1.6 mM
42	D2O	natural abundance	5 %
43	H2O	natural abundance	95 %
44	polyacrylamide	natural abundance	4.5 %
45	HEPES	natural abundance	10 mM
46	NaCl	natural abundance	50 mM
47	DTT	natural abundance	1 mM
48	EDTA	natural abundance	0.1 mM

15 2D 1H-15N IPAP-HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
31	Ubl	[U-99% 15N]	0.8 mM
32	SH3	natural abundance	1.6 mM
33	D2O	natural abundance	5 %
34	H2O	natural abundance	95 %
35	polyacrylamide	natural abundance	4.5 %
36	HEPES	natural abundance	10 mM
37	NaCl	natural abundance	50 mM
38	DTT	natural abundance	1 mM
39	EDTA	natural abundance	0.1 mM

16 2D 1H-15N IPAP-HSQC

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
40	SH3	[U-99% 15N]	0.8 mM
41	Ubl	natural abundance	1.6 mM
42	D2O	natural abundance	5 %
43	H2O	natural abundance	95 %
44	polyacrylamide	natural abundance	4.5 %
45	HEPES	natural abundance	10 mM
46	NaCl	natural abundance	50 mM
47	DTT	natural abundance	1 mM
48	EDTA	natural abundance	0.1 mM

17 3D 1H-13C NOESY coupled

Instrument

Varian INOVA - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Ubl	[U-99% 13C; U-99% 15N]	1.2 (±0.1) mM
2	SH3	natural abundance	1.2 (±0.1) mM
3	D2O	natural abundance	100 %
4	HEPES	natural abundance	10 mM
5	NaCl	natural abundance	50 mM
6	DTT	natural abundance	1 mM
7	EDTA	natural abundance	0.1 mM

18 3D 1H-13C NOESY coupled

Instrument

Bruker Avance - 600 MHz cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
8	SH3	[U-99% 13C; U-99% 15N]	1.2 mM
9	Ubl	natural abundance	1.2 mM
10	D2O	natural abundance	100 %
11	HEPES	natural abundance	10 mM
12	NaCl	natural abundance	50 mM
13	DTT	natural abundance	1 mM
14	EDTA	natural abundance	0.1 mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16813_2knb.nef
Input source #2: Coordindates	2knb.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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--------40--------50--------60--------70------
GPLGSMIVFVRFNSSYGFPVEVDSDTSIFQLKEVVAKRQGVPADQLRVIFAGKELQNHLTVQNCDLEQQSIVHIVQRPQRK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSMIVFVRFNSSYGFPVEVDSDTSIFQLKEVVAKRQGVPADQLRVIFAGKELQNHLTVQNCDLEQQSIVHIVQRPQRK
--------10--------20--------30--------40--------50--------60--------70--------80-

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

------290-------300-------310-------320-------330-------340-------350--
GSRRASVGSDQPCCRALYDFEPENEGELGFKEGDIITLTNQIDENWYEGMLHGQSGFFPINYVEILVALPH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSRRASVGSDQPCCRALYDFEPENEGELGFKEGDIITLTNQIDENWYEGMLHGQSGFFPINYVEILVALPH
--------10--------20--------30--------40--------50--------60--------70-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	81	0	0	100.0
B	B	71	0	0	100.0

Content subtype: combined_16813_2knb.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1279		92.6 (chain: A, length: 81), 87.3 (chain: B, length: 71)
1	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	104 (1)	noe	27.2 (chain: A, length: 81), 8.5 (chain: B, length: 71)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	129 (129)	.	86.4 (chain: A, length: 81)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_4	OK	118 (118)	.	80.2 (chain: A, length: 81), 74.6 (chain: B, length: 71)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 92.6%
  - Entity_assembly_ID: B, Chain length: 71, Sequence coverage: 87.3%
- Total number of assignments
  - ¹H chemical shifts: 723
  - ¹³C chemical shifts: 406
  - ¹⁵N chemical shifts: 150
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	507	386	76.1
¹³C chemical shifts	373	230	61.7
¹⁵N chemical shifts	94	84	89.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	163	149	91.4
¹³C chemical shifts	162	75	46.3
¹⁵N chemical shifts	77	72	93.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	344	237	68.9
¹³C chemical shifts	211	155	73.5
¹⁵N chemical shifts	17	12	70.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	31	62.0
¹³C chemical shifts	50	42	84.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	0	0.0
¹³C chemical shifts	33	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	423	337	79.7
¹³C chemical shifts	317	176	55.5
¹⁵N chemical shifts	78	66	84.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	146	125	85.6
¹³C chemical shifts	142	62	43.7
¹⁵N chemical shifts	67	58	86.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	277	212	76.5
¹³C chemical shifts	175	114	65.1
¹⁵N chemical shifts	11	8	72.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	24	70.6
¹³C chemical shifts	34	18	52.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	29	69.0
¹³C chemical shifts	41	21	51.2
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_5
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 27.2%
  - Entity_assembly_ID: B, Chain length: 71, Sequence coverage: 8.5%
- Total number of restraints: 104
- Weight of restraints: 1.0 (104)
- Potential type of restraints: square-well-parabolic (104)
- Range of distance target values: 2.25, 3.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 86.4%
- Total number of restraints: 129
- Total number of restraints per polymer type: 129
- Weight of restraints: 1.0 (129)
- Potential type of restraints: square-well-parabolic (129)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_4

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 80.2%

-------------10--------20--------30--------40--------50--------60--------70------
GPLGSMIVFVRFNSSYGFPVEVDSDTSIFQLKEVVAKRQGVPADQLRVIFAGKELQNHLTVQNCDLEQQSIVHIVQRPQRK
      |||||||  ||  ||||||||||||||||  |||| ||||||||||||||||||||||||||| ||||||| || 
......IVFVRFN..YG..VEVDSDTSIFQLKEVV..RQGV.ADQLRVIFAGKELQNHLTVQNCDLEQQ.IVHIVQR.QR 
-------------10--------20--------30--------40--------50--------60--------70-----

Entity_assembly_ID: B, Chain length: 71, Sequence coverage: 74.6%

------290-------300-------310-------320-------330-------340-------350--
GSRRASVGSDQPCCRALYDFEPENEGELGFKEGDIITLTNQIDENWYEGMLHGQSGFFPINYVEILVALPH
          | ||||||||| ||||||||||||||||||||||||||||| ||||||  | |||||||  
..........Q.CCRALYDFE.ENEGELGFKEGDIITLTNQIDENWYEGML.GQSGFF..N.VEILVAL  
------290-------300-------310-------320-------330-------340-------350

Total number of restraints: 118
Potential type of restraints: undefined (118)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None
- Chain_ID: B
  None

Keywords endophilin, parkin, SH3, Ubl

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Found 1 Document (1.021 seconds)

BMRB: 16813

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Ubl, : 1 : 2 : 2 : 728 entities Detail

Related entities 2. SH3, : 2 : 50 entities Detail

Interaction partners 1. Ubl, : 2 interactors Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 5 contents Detail