BMRBj - BMREntryMaster

Found 1 Document (0.349 seconds)

BMRB: 30769

6XQJ

Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A

Authors

Byeon, I.L., Calero, G., Wu, Y., Byeon, C.H., Gronenborn, A.M.

Assembly

Protein Vpr, UV excision repair protein RAD23 homolog A

Entity

1. Protein Vpr, UV excision repair protein RAD23 homolog A, entity 1 (polymer), 234 monomers, 26766.53 Da Detail

MEQAPEDQGP QREPYNEWTL ELLEELKSEA VRHFPRIWLH NLGQHIYETY GDTWAGVEAI IRILQQLLFI HFRIGCRHSG GSGGSATEAA GENPLEFLRD QPQFQNMRQV IQQNPALLPA LLQQLGQENP QLLQQISRHQ EQFIQMLNEP PGELADISDV EGEVGAIGEE APQMNYIQVT PQEKEAIERL KALGFPESLV IQAYFACEKN ENLAANFLLS QNFDDELEHH HHHH

2. Protein Vpr, UV excision repair protein RAD23 homolog A, entity ZN (non-polymer), 65.409 Da

Total weight

26831.938 Da

Max. entity weight

26766.53 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:HIS33:ND1	2:ZN1:ZN
2	na	sing	1:HIS71:NE2	2:ZN1:ZN
3	na	sing	1:CYS76:SG	2:ZN1:ZN
4	na	sing	1:HIS78:ND1	2:ZN1:ZN

Source organism

Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 85.3 %, Completeness (bb): 82.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.3 % (2383 of 2795)	91.3 % (1334 of 1461)	75.2 % (799 of 1063)	92.3 % (250 of 271)
Backbone	82.3 % (1133 of 1376)	96.4 % (453 of 470)	69.0 % (473 of 686)	94.1 % (207 of 220)
Sidechain	89.2 % (1460 of 1637)	88.9 % (881 of 991)	90.1 % (536 of 595)	84.3 % (43 of 51)
Aromatic	87.5 % (196 of 224)	89.3 % (100 of 112)	85.3 % (93 of 109)	100.0 % (3 of 3)
Methyl	95.5 % (231 of 242)	99.2 % (120 of 121)	91.7 % (111 of 121)

1. entity 1

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 927 uM [U-100% 2H; U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	Vpr-hHR23A complex	[U-100% 2H; U-100% 13C; U-100% 15N]	927 (±10.0) uM
2	sodium phosphate	natural abundance	25 (±1.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	DTT	natural abundance	2 (±0.2) mM
5	TCEP	natural abundance	1 (±0.01) mM
6	ZnSO4	natural abundance	0.1 (±0.001) mM
7	EDTA	natural abundance	0.1 (±0.001) mM
8	sodium azide	natural abundance	0.02 (±2.0E-4) %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 1100 uM [U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 1110 uM [U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
17	Vpr-hHR23A complex	[U-100% 15N]	1110 (±10.0) uM
18	sodium phosphate	natural abundance	25 (±1.0) mM
19	sodium chloride	natural abundance	50 (±2.0) mM
20	DTT	natural abundance	2 (±0.02) mM
21	TCEP	natural abundance	1 (±0.01) mM
22	ZnSO4	natural abundance	0.1 (±0.001) mM
23	EDTA	natural abundance	0.1 (±0.001) mM
24	sodium azide	natural abundance	0.02 (±2.0E-4) %

Sample #4

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 1000 uM [U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
25	Vpr-hHR23A complex	[U-100% 15N]	1000 (±10.0) uM
26	sodium phosphate	natural abundance	25 (±1.0) mM
27	sodium chloride	natural abundance	50 (±2.0) mM
28	DTT	natural abundance	2 (±0.02) mM
29	TCEP	natural abundance	1 (±0.01) mM
30	ZnSO4	natural abundance	0.1 (±0.001) mM
31	EDTA	natural abundance	0.1 (±0.001) mM
32	sodium azide	natural abundance	0.02 (±2.0E-4) %

Sample #5

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 745 uM [U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
33	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	745 (±10.0) uM
34	sodium phosphate	natural abundance	25 (±1.0) mM
35	sodium chloride	natural abundance	50 (±2.0) mM
36	DTT	natural abundance	2 (±0.02) mM
37	TCEP	natural abundance	1 (±0.01) mM
38	ZnSO4	natural abundance	0.1 (±0.001) mM
39	EDTA	natural abundance	0.1 (±0.001) mM
40	sodium azide	natural abundance	0.02 (±2.0E-4) %

Release date

2020-08-09

Citation

Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Byeon, I.L., Calero, G., Wu, Y., Byeon, C.H., Jung, J., DeLucia, M., Zhou, X., Weiss, S., Ahn, J., Hao, C., Skowronski, J., Gronenborn, A.M.
Nat. Commun. (2021), 12, 6864-6864, PubMed 34824204 , DOI 10.1038/s41467-021-27009-w , Abstract

Related entities 1. Protein Vpr, UV excision repair protein RAD23 homolog A, entity 1, : 1 entities Detail

Experiments performed 17 experiments Detail

1 3D TROSY-HNCACB

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 927 uM [U-100% 2H; U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	Vpr-hHR23A complex	[U-100% 2H; U-100% 13C; U-100% 15N]	927 (±10.0) uM
2	sodium phosphate	natural abundance	25 (±1.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	DTT	natural abundance	2 (±0.2) mM
5	TCEP	natural abundance	1 (±0.01) mM
6	ZnSO4	natural abundance	0.1 (±0.001) mM
7	EDTA	natural abundance	0.1 (±0.001) mM
8	sodium azide	natural abundance	0.02 (±2.0E-4) %

2 3D TROSY-HNCOCACB

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Vpr-hHR23A complex	[U-100% 2H; U-100% 13C; U-100% 15N]	927 (±10.0) uM
2	sodium phosphate	natural abundance	25 (±1.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	DTT	natural abundance	2 (±0.2) mM
5	TCEP	natural abundance	1 (±0.01) mM
6	ZnSO4	natural abundance	0.1 (±0.001) mM
7	EDTA	natural abundance	0.1 (±0.001) mM
8	sodium azide	natural abundance	0.02 (±2.0E-4) %

3 3D HNCA

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 1100 uM [U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

4 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

5 3D similtaneously 13C/15C-edited NOESY (aliphatic)

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

6 3D similtaneously 13C/15C-edited NOESY (aliphatic)

Instrument

Bruker AVANCE - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.5 (±0.1), Details 745 uM [U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
33	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	745 (±10.0) uM
34	sodium phosphate	natural abundance	25 (±1.0) mM
35	sodium chloride	natural abundance	50 (±2.0) mM
36	DTT	natural abundance	2 (±0.02) mM
37	TCEP	natural abundance	1 (±0.01) mM
38	ZnSO4	natural abundance	0.1 (±0.001) mM
39	EDTA	natural abundance	0.1 (±0.001) mM
40	sodium azide	natural abundance	0.02 (±2.0E-4) %

7 3D similtaneously 13C/15C-edited NOESY (aromatic)

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

8 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 1110 uM [U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
17	Vpr-hHR23A complex	[U-100% 15N]	1110 (±10.0) uM
18	sodium phosphate	natural abundance	25 (±1.0) mM
19	sodium chloride	natural abundance	50 (±2.0) mM
20	DTT	natural abundance	2 (±0.02) mM
21	TCEP	natural abundance	1 (±0.01) mM
22	ZnSO4	natural abundance	0.1 (±0.001) mM
23	EDTA	natural abundance	0.1 (±0.001) mM
24	sodium azide	natural abundance	0.02 (±2.0E-4) %

9 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Vpr-hHR23A complex	[U-100% 2H; U-100% 13C; U-100% 15N]	927 (±10.0) uM
2	sodium phosphate	natural abundance	25 (±1.0) mM
3	sodium chloride	natural abundance	50 (±2.0) mM
4	DTT	natural abundance	2 (±0.2) mM
5	TCEP	natural abundance	1 (±0.01) mM
6	ZnSO4	natural abundance	0.1 (±0.001) mM
7	EDTA	natural abundance	0.1 (±0.001) mM
8	sodium azide	natural abundance	0.02 (±2.0E-4) %

10 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

11 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.5 (±0.1), Details 1100 uM [U-100% 13C; U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

12 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

13 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
17	Vpr-hHR23A complex	[U-100% 15N]	1110 (±10.0) uM
18	sodium phosphate	natural abundance	25 (±1.0) mM
19	sodium chloride	natural abundance	50 (±2.0) mM
20	DTT	natural abundance	2 (±0.02) mM
21	TCEP	natural abundance	1 (±0.01) mM
22	ZnSO4	natural abundance	0.1 (±0.001) mM
23	EDTA	natural abundance	0.1 (±0.001) mM
24	sodium azide	natural abundance	0.02 (±2.0E-4) %

14 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

15 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
9	Vpr-hHR23A complex	[U-100% 13C; U-100% 15N]	1100 (±10.0) uM
10	sodium phosphate	natural abundance	25 (±1.0) mM
11	sodium chloride	natural abundance	50 (±2.0) mM
12	DTT	natural abundance	2 (±0.02) mM
13	TCEP	natural abundance	1 (±0.01) mM
14	ZnSO4	natural abundance	0.1 (±0.001) mM
15	EDTA	natural abundance	0.1 (±0.001) mM
16	sodium azide	natural abundance	0.02 (±2.0E-4) %

16 2D NOESY

Instrument

Bruker AVANCE - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.2 (±0.1), Details 1000 uM [U-100% 15N] Vpr-hHR23A complex, 25 mM sodium phosphate, 50 mM sodium chloride, 2 mM DTT, 1 mM TCEP, 0.1 mM ZnSO4, 0.1 mM EDTA, 0.02 % sodium azide, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
25	Vpr-hHR23A complex	[U-100% 15N]	1000 (±10.0) uM
26	sodium phosphate	natural abundance	25 (±1.0) mM
27	sodium chloride	natural abundance	50 (±2.0) mM
28	DTT	natural abundance	2 (±0.02) mM
29	TCEP	natural abundance	1 (±0.01) mM
30	ZnSO4	natural abundance	0.1 (±0.001) mM
31	EDTA	natural abundance	0.1 (±0.001) mM
32	sodium azide	natural abundance	0.02 (±2.0E-4) %

17 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
17	Vpr-hHR23A complex	[U-100% 15N]	1110 (±10.0) uM
18	sodium phosphate	natural abundance	25 (±1.0) mM
19	sodium chloride	natural abundance	50 (±2.0) mM
20	DTT	natural abundance	2 (±0.02) mM
21	TCEP	natural abundance	1 (±0.01) mM
22	ZnSO4	natural abundance	0.1 (±0.001) mM
23	EDTA	natural abundance	0.1 (±0.001) mM
24	sodium azide	natural abundance	0.02 (±2.0E-4) %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30769_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:33:HIS:ND1	2:1:ZN:ZN	unknown	unknown	n/a
1:71:HIS:NE2	2:1:ZN:ZN	unknown	unknown	n/a
1:76:CYS:SG	2:1:ZN:ZN	reduced, CA 59.548, CB 29.816 ppm	unknown	n/a
1:78:HIS:ND1	2:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr30769_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2569		99.1 (chain: 1, length: 234)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 234, Sequence coverage: 99.1%
- Total number of assignments
  - ¹H chemical shifts: 1565
  - ¹³C chemical shifts: 756
  - ¹⁵N chemical shifts: 248
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
53	THR	HG1	5.347
180	THR	HG1	5.689
189	ARG	HH11	6.833

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1461	1318	90.2
¹³C chemical shifts	1063	756	71.1
¹⁵N chemical shifts	271	248	91.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	470	452	96.2
¹³C chemical shifts	468	231	49.4
¹⁵N chemical shifts	220	206	93.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	991	866	87.4
¹³C chemical shifts	595	525	88.2
¹⁵N chemical shifts	51	42	82.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	125	122	97.6
¹³C chemical shifts	125	114	91.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	112	98	87.5
¹³C chemical shifts	109	90	82.6
¹⁵N chemical shifts	3	3	100.0

Keywords ANTIVIRAL PROTEIN, NER, Vpr, hHR23A

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 (0.349 seconds)

BMRB: 30769

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Related entities 1. Protein Vpr, UV excision repair protein RAD23 homolog A, entity 1, : 1 entities Detail

Experiments performed 17 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail