Solution structure of the complex between human ZNHIT3 and NUFIP1 proteins
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.1 % (1247 of 1297) | 97.7 % (666 of 682) | 93.8 % (466 of 497) | 97.5 % (115 of 118) |
Backbone | 96.7 % (625 of 646) | 97.3 % (213 of 219) | 96.3 % (310 of 322) | 97.1 % (102 of 105) |
Sidechain | 95.0 % (717 of 755) | 96.3 % (446 of 463) | 92.5 % (258 of 279) | 100.0 % (13 of 13) |
Aromatic | 70.6 % (48 of 68) | 88.2 % (30 of 34) | 52.9 % (18 of 34) | |
Methyl | 95.1 % (116 of 122) | 93.4 % (57 of 61) | 96.7 % (59 of 61) |
1. Zinc finger HIT domain-containing protein 3
GPHMDRVSLQ NLKNLGESAT LRSLLLNPHL RQLMVNLDQG EDKAKLMRAY MQEPLFVEFA DCCLGIVEPS QNEES2. Nuclear fragile X mental retardation-interacting protein 1
DIRHERNVIL QCVRYIIKKD FFGLDTNSAK SKDVSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 600 MHz cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4, Details 1 mM [U-13C; U-15N] ZNHIT3, 1 mM [U-13C; U-15N] NUFIP1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NUFIP1 | [U-13C; U-15N] | 1 mM | |
2 | ZNHIT3 | [U-13C; U-15N] | 1 mM | |
3 | H2O | natural abundance | 95 % | |
4 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34007_5l85.nef |
Input source #2: Coordindates | 5l85.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
NoneSequence alignments
--------90-------100-------110-------120-------130-------140-------150----- GPHMDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPHMDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES --------10--------20--------30--------40--------50--------60--------70-----
------470-------480-------490----- DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV |||||||||||||||||||||||||||||||||| DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV --------10--------20--------30----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 75 | 0 | 0 | 100.0 |
B | B | 34 | 0 | 0 | 100.0 |
Content subtype: combined_34007_5l85.nef
Assigned chemical shifts
--------90-------100-------110-------120-------130-------140-------150----- GPHMDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPHMDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES
------470-------480-------490----- DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV |||||||||||||||||||||||||||||||||| DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
83 | HIS | ND1 | 200.009 |
83 | HIS | NE2 | 177.011 |
90 | GLN | CD | 180.414 |
91 | ASN | CG | 176.115 |
94 | ASN | CG | 175.479 |
107 | ASN | CG | 176.792 |
109 | HIS | ND1 | 201.129 |
109 | HIS | NE2 | 175.332 |
112 | GLN | CD | 180.332 |
116 | ASN | CG | 176.351 |
119 | GLN | CD | 180.558 |
132 | GLN | CD | 180.588 |
142 | CYS | HG | 1.824 |
143 | CYS | HG | 1.224 |
151 | GLN | CD | 180.517 |
152 | ASN | CG | 176.997 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 462 | 457 | 98.9 |
13C chemical shifts | 335 | 322 | 96.1 |
15N chemical shifts | 85 | 82 | 96.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 150 | 149 | 99.3 |
13C chemical shifts | 150 | 145 | 96.7 |
15N chemical shifts | 71 | 70 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 312 | 308 | 98.7 |
13C chemical shifts | 185 | 177 | 95.7 |
15N chemical shifts | 14 | 12 | 85.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 45 | 100.0 |
13C chemical shifts | 45 | 45 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 18 | 16 | 88.9 |
13C chemical shifts | 18 | 10 | 55.6 |
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
465 | HIS | ND1 | 192.735 |
465 | HIS | NE2 | 180.872 |
468 | ASN | CG | 175.992 |
472 | GLN | CD | 179.87 |
473 | CYS | HG | 3.125 |
488 | ASN | CG | 177.172 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 220 | 215 | 97.7 |
13C chemical shifts | 162 | 153 | 94.4 |
15N chemical shifts | 40 | 37 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 68 | 98.6 |
13C chemical shifts | 68 | 67 | 98.5 |
15N chemical shifts | 34 | 33 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 151 | 147 | 97.4 |
13C chemical shifts | 94 | 86 | 91.5 |
15N chemical shifts | 6 | 4 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 20 | 100.0 |
13C chemical shifts | 20 | 20 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 16 | 14 | 87.5 |
13C chemical shifts | 16 | 8 | 50.0 |
Distance restraints
--------90-------100-------110-------120-------130-------140-------150----- GPHMDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES || |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GP.MDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES
------470-------480-------490----- DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV |||||||||||||||||||||||||||||||||| DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV
Dihedral angle restraints
--------90-------100-------110-------120-------130-------140-------150----- GPHMDRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEPSQNEES ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| || ....DRVSLQNLKNLGESATLRSLLLNPHLRQLMVNLDQGEDKAKLMRAYMQEPLFVEFADCCLGIVEP....ES
------470-------480-------490----- DIRHERNVILQCVRYIIKKDFFGLDTNSAKSKDV ||||||||||||||||||||||||| DIRHERNVILQCVRYIIKKDFFGLD ------470-------480------