Structure of the EH-domain of EHD1
GPLGSESLMP SQVVKGGAFD GTMNGPFGHG YGEGAGEGID DVEWVVGKDK PTYDEIFYTL SPVNGKITGA NAKKEMVKSK LPNTVLGKIW KLADVDKDGL LDDEEFALAN HLIKVKLEGH ELPADLPPHL VPPSKRRHE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 97.0 % (1534 of 1581) | 97.2 % (801 of 824) | 96.8 % (601 of 621) | 97.1 % (132 of 136) |
Backbone | 96.8 % (786 of 812) | 96.8 % (276 of 285) | 96.5 % (385 of 399) | 97.7 % (125 of 128) |
Sidechain | 97.4 % (867 of 890) | 97.4 % (525 of 539) | 97.7 % (335 of 343) | 87.5 % (7 of 8) |
Aromatic | 95.4 % (103 of 108) | 98.1 % (53 of 54) | 94.2 % (49 of 52) | 50.0 % (1 of 2) |
Methyl | 97.9 % (143 of 146) | 97.3 % (71 of 73) | 98.6 % (72 of 73) |
1. EH domain of EHD1
GPLGSESLMP SQVVKGGAFD GTMNGPFGHG YGEGAGEGID DVEWVVGKDK PTYDEIFYTL SPVNGKITGA NAKKEMVKSK LPNTVLGKIW KLADVDKDGL LDDEEFALAN HLIKVKLEGH ELPADLPPHL VPPSKRRHESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.778 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.778 ppm | internal | direct | 1.0 |
15N | water | protons | 4.778 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.778 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.778 ppm | internal | direct | 1.0 |
15N | water | protons | 4.778 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.778 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.778 ppm | internal | direct | 1.0 |
15N | water | protons | 4.778 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.778 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.778 ppm | internal | direct | 1.0 |
15N | water | protons | 4.778 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Varian INOVA - 600 MHz cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EH Domain of EHD-1 | [U-99% 13C; U-99% 15N] | 1 (±0.05) mM | |
2 | CALCIUM ION | natural abundance | 3 mM | |
3 | PBS | natural abundance | 150 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_15279_2jq6.nef |
Input source #2: Coordindates | 2jq6.cif |
Diamagnetism of the molecular assembly | False (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
NoneOther 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 (Ã…) |
---|---|---|---|---|
1:105:GLU:OE1 | 2:1:CA:CA | unknown | unknown | n/a |
1:105:GLU:OE2 | 2:1:CA:CA | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | CA | CALCIUM ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPLGSESLMPSQVVKGGAFDGTMNGPFGHGYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPLGSESLMPSQVVKGGAFDGTMNGPFGHGYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGL -------110-------120-------130--------- LDDEEFALANHLIKVKLEGHELPADLPPHLVPPSKRRHE ||||||||||||||||||||||||||||||||||||||| LDDEEFALANHLIKVKLEGHELPADLPPHLVPPSKRRHE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 139 | 0 | 0 | 100.0 |
Content subtype: combined_15279_2jq6.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPLGSESLMPSQVVKGGAFDGTMNGPFGHGYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..LGSESLMPSQVVKGGAFDGTMNGPFGHGYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGL -------110-------120-------130--------- LDDEEFALANHLIKVKLEGHELPADLPPHLVPPSKRRHE ||||||||||||||||||||||||||||||||||||||| LDDEEFALANHLIKVKLEGHELPADLPPHLVPPSKRRHE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
50 | LYS | HZ1 | 8.63 |
50 | LYS | HZ2 | 8.63 |
50 | LYS | HZ3 | 8.63 |
135 | LYS | HZ1 | 8.0 |
135 | LYS | HZ2 | 8.0 |
135 | LYS | HZ3 | 8.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 824 | 809 | 98.2 |
13C chemical shifts | 621 | 602 | 96.9 |
15N chemical shifts | 138 | 131 | 94.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 285 | 279 | 97.9 |
13C chemical shifts | 278 | 267 | 96.0 |
15N chemical shifts | 128 | 124 | 96.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 539 | 530 | 98.3 |
13C chemical shifts | 343 | 335 | 97.7 |
15N chemical shifts | 10 | 7 | 70.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 76 | 100.0 |
13C chemical shifts | 76 | 76 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 54 | 53 | 98.1 |
13C chemical shifts | 52 | 47 | 90.4 |
15N chemical shifts | 2 | 1 | 50.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GPLGSESLMPSQVVKGGAFDGTMNGPFGHGYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGL ||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....ESLMPSQVVKGGAFDGTMNGPFG.GYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGL -------110-------120-------130--------- LDDEEFALANHLIKVKLEGHELPADLPPHLVPPSKRRHE ||||||||||||||||||||||||||||||||||||||| LDDEEFALANHLIKVKLEGHELPADLPPHLVPPSKRRHE