Resonance assignments of the 56 kDa chimeric avidin in the biotin-bound and free forms
QTVARKCSLT GKWTNDLGSN MTIGAVNSRG EFTGTYITAV ADNPGNITLS PLLGIQHKRA SQPTFGFTVN WKFSESTTVF TGQCFIDRNG KEVLKTMWLL RSSVNDIGDD WKATRVGYNI FTRLRTQKE
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS7:SG | 1:CYS84:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.0 % (1271 of 1496) | 91.6 % (707 of 772) | 75.9 % (440 of 580) | 86.1 % (124 of 144) |
Backbone | 81.8 % (628 of 768) | 94.4 % (252 of 267) | 69.1 % (259 of 375) | 92.9 % (117 of 126) |
Sidechain | 88.3 % (746 of 845) | 89.1 % (450 of 505) | 89.8 % (289 of 322) | 38.9 % (7 of 18) |
Aromatic | 90.6 % (125 of 138) | 95.7 % (66 of 69) | 84.6 % (55 of 65) | 100.0 % (4 of 4) |
Methyl | 96.5 % (137 of 142) | 97.2 % (69 of 71) | 95.8 % (68 of 71) |
1. avidin
QTVARKCSLT GKWTNDLGSN MTIGAVNSRG EFTGTYITAV ADNPGNITLS PLLGIQHKRA SQPTFGFTVN WKFSESTTVF TGQCFIDRNG KEVLKTMWLL RSSVNDIGDD WKATRVGYNI FTRLRTQKESolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 343 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 343 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | natural abundance | 7 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 175.2 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.4 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.81 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 175.2 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.4 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.81 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 175.2 ppm | na | indirect | 0.2514495 |
1H | water | protons | 4.4 ppm | internal | direct | 1.0 |
15N | liquid anhydrous ammonia | nitrogen | 117.81 ppm | na | indirect | 0.1013291 |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Varian Unity INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 333 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | avidin | [U-13C; U-15N] | 0.7 ~ 1.2 mM | |
2 | d-biotin | natural abundance | 0.7 ~ 1.2 mM | |
3 | H2O | natural abundance | 93 % | |
4 | D2O | natural abundance | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18125_2mf6.nef |
Input source #2: Coordindates | 2mf6.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:4:CYS:SG | A:83:CYS:SG | unknown | unknown | 2.018 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 55 | . | Not matched with CCD | None |
A | 0 | . | Not matched with CCD | None |
A | 56 | . | Not matched with CCD | None |
B | 55 | . | Not matched with CCD | None |
B | 0 | . | Not matched with CCD | None |
B | 56 | . | Not matched with CCD | None |
C | 55 | . | Not matched with CCD | None |
C | 56 | . | Not matched with CCD | None |
C | 0 | . | Not matched with CCD | None |
D | 56 | . | Not matched with CCD | None |
D | 55 | . | Not matched with CCD | None |
D | 0 | . | Not matched with CCD | None |
Sequence alignments
--------- ...QTVARK |||||| -.-Q-VARKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVADNPGNITLSPLLGIQHKRASQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTM - - ---------10--------20--------30--------40--------50--------60--------70--------80--------90---- WLLRSSVNDIGDDWKATRVGYNIFTRLRTQKE ---100-------110-------120------
--------- ...QTVARK |||||| -.-Q-VARKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVADNPGNITLSPLLGIQHKRASQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTM - - ---------10--------20--------30--------40--------50--------60--------70--------80--------90---- WLLRSSVNDIGDDWKATRVGYNIFTRLRTQKE ---100-------110-------120------
--------- ...QTVARK |||||| -.-Q-VARKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVADNPGNITLSPLLGIQHKRASQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTM - - ---------10--------20--------30--------40--------50--------60--------70--------80--------90---- WLLRSSVNDIGDDWKATRVGYNIFTRLRTQKE ---100-------110-------120------
--------- ...QTVARK |||||| -.-Q-VARKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVADNPGNITLSPLLGIQHKRASQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTM - - ---------10--------20--------30--------40--------50--------60--------70--------80--------90---- WLLRSSVNDIGDDWKATRVGYNIFTRLRTQKE ---100-------110-------120------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 129 | 3 | 0 | 100.0 |
B | D | 129 | 3 | 0 | 100.0 |
C | B | 129 | 3 | 0 | 100.0 |
D | C | 129 | 3 | 0 | 100.0 |
Content subtype: combined_18125_2mf6.nef
Assigned chemical shifts
Covalent bonds
Distance restraints
Dihedral angle restraints
RDC restraints