Structural Basis of Phosphoinositide Binding to Kindlin-2 Pleckstrin Homology Domain in Regulating Integrin Activation
GSHMGDITSI PELADYIKVF KPKKLTLKGY KQYWCTFKDT SISCYKSKEE SSGTPAHQMN LRGCEVTPDV NISGQKFNIK LLIPVAEGMN EIWLRCDNEK QYAHWMAACR LASKGKTMAD SSYNLEVQNI LSFLKMQH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 73.4 % (1210 of 1649) | 77.1 % (665 of 863) | 64.8 % (413 of 637) | 88.6 % (132 of 149) |
Backbone | 81.3 % (665 of 818) | 91.8 % (256 of 279) | 69.0 % (280 of 406) | 97.0 % (129 of 133) |
Sidechain | 70.1 % (674 of 961) | 70.0 % (409 of 584) | 72.6 % (262 of 361) | 18.8 % (3 of 16) |
Aromatic | 20.7 % (29 of 140) | 25.7 % (18 of 70) | 14.9 % (10 of 67) | 33.3 % (1 of 3) |
Methyl | 54.6 % (71 of 130) | 46.2 % (30 of 65) | 63.1 % (41 of 65) |
1. Kindlin-2
GSHMGDITSI PELADYIKVF KPKKLTLKGY KQYWCTFKDT SISCYKSKEE SSGTPAHQMN LRGCEVTPDV NISGQKFNIK LLIPVAEGMN EIWLRCDNEK QYAHWMAACR LASKGKTMAD SSYNLEVQNI LSFLKMQHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Kindlin2-PH | [U-100% 13C; U-100% 15N] | 1 mM | |
6 | 4IP | natural abundance | 2 mM | |
7 | D2O | natural abundance | 100 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Kindlin-2 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | 4IP | natural abundance | 2 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Kindlin2-PH | [U-100% 13C; U-100% 15N] | 1 mM | |
6 | 4IP | natural abundance | 2 mM | |
7 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Kindlin2-PH | [U-100% 13C; U-100% 15N] | 1 mM | |
6 | 4IP | natural abundance | 2 mM | |
7 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Kindlin2-PH | [U-100% 13C; U-100% 15N] | 1 mM | |
6 | 4IP | natural abundance | 2 mM | |
7 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Kindlin2-PH | [U-100% 13C; U-100% 15N] | 1 mM | |
6 | 4IP | natural abundance | 2 mM | |
7 | D2O | natural abundance | 100 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Kindlin2-PH | [U-100% 13C; U-100% 15N] | 1 mM | |
6 | 4IP | natural abundance | 2 mM | |
7 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18002_2lko.nef |
Input source #2: Coordindates | 2lko.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
NoneOther 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 |
---|---|---|---|---|
B | 1 | 4IP | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE | Assigned chemical shifts, Distance restraints |
Sequence alignments
-----370-------380-------390-------400-------410-------420-------430-------440-------450-------460-- GSHMGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----470-------480-------490-------500 QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH |||||||||||||||||||||||||||||||||||||| QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH -------110-------120-------130--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 138 | 0 | 0 | 100.0 |
Content subtype: combined_18002_2lko.nef
Assigned chemical shifts
-----370-------380-------390-------400-------410-------420-------430-------440-------450-------460-- GSHMGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..HMGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK -----470-------480-------490-------500 QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH |||||||||||||||||||||||||||||||||||||| QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH
- X | X
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 863 | 623 | 72.2 |
13C chemical shifts | 637 | 377 | 59.2 |
15N chemical shifts | 152 | 129 | 84.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 279 | 258 | 92.5 |
13C chemical shifts | 276 | 134 | 48.6 |
15N chemical shifts | 133 | 129 | 97.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 584 | 365 | 62.5 |
13C chemical shifts | 361 | 243 | 67.3 |
15N chemical shifts | 19 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 71 | 20 | 28.2 |
13C chemical shifts | 71 | 33 | 46.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 0 | 0.0 |
13C chemical shifts | 67 | 0 | 0.0 |
15N chemical shifts | 3 | 0 | 0.0 |
Comp_index_ID | Comp_ID |
---|---|
1 | 4IP |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Distance restraints
-----370-------380-------390-------400-------410-------420-------430-------440-------450-------460-- GSHMGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...MGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK -----470-------480-------490-------500 QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH |||||||||||||||||||||||||||||||||||||| QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH
- X | X
Dihedral angle restraints
-----370-------380-------390-------400-------410-------420-------430-------440-------450-------460-- GSHMGDITSIPELADYIKVFKPKKLTLKGYKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK ||| ||||||||||| |||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....DIT..PELADYIKVFK.KKLT...YKQYWCTFKDTSISCYKSKEESSGTPAHQMNLRGCEVTPDVNISGQKFNIKLLIPVAEGMNEIWLRCDNEK -----370-------380-------390-------400-------410-------420-------430-------440-------450-------460-- -----470-------480-------490-------500 QYAHWMAACRLASKGKTMADSSYNLEVQNILSFLKMQH ||| QYA ---