Solution structure of 1-112 fragment of human programmed cell death 5 protein
GSADEELEAL RRQRLAELQA KHGDPGDAAQ QEAKHREAEM RNSILAQVLD QSARARLSNL ALVKPEKTKA VENYLIQMAR YGQLSEKVSE QGLIEILKKV SQQTEKTTTV KFN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.6 % (1222 of 1320) | 90.4 % (630 of 697) | 96.0 % (477 of 497) | 91.3 % (115 of 126) |
Backbone | 98.1 % (661 of 674) | 96.1 % (220 of 229) | 99.4 % (332 of 334) | 98.2 % (109 of 111) |
Sidechain | 88.7 % (669 of 754) | 87.6 % (410 of 468) | 93.4 % (253 of 271) | 40.0 % (6 of 15) |
Aromatic | 47.1 % (16 of 34) | 47.1 % (8 of 17) | 47.1 % (8 of 17) | |
Methyl | 93.8 % (122 of 130) | 93.8 % (61 of 65) | 93.8 % (61 of 65) |
1. pdcd5
GSADEELEAL RRQRLAELQA KHGDPGDAAQ QEAKHREAEM RNSILAQVLD QSARARLSNL ALVKPEKTKA VENYLIQMAR YGQLSEKVSE QGLIEILKKV SQQTEKTTTV KFNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | pdcd5 | [U-13C] | 1.0-2.0 mM | |
7 | acetic acid | [U-2H] | 100 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | DSS | natural abundance | 0.01 % | |
10 | sodium azide | natural abundance | 0.01 % |
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 |
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 DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | pdcd5 | [U-13C] | 1.0-2.0 mM | |
7 | acetic acid | [U-2H] | 100 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | DSS | natural abundance | 0.01 % | |
10 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | pdcd5 | [U-13C; U-15N] | 1.0-2.0 mM | |
2 | acetic acid | [U-2H] | 100 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DSS | natural abundance | 0.01 % | |
5 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | pdcd5 | [U-13C] | 1.0-2.0 mM | |
7 | acetic acid | [U-2H] | 100 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | DSS | natural abundance | 0.01 % | |
10 | sodium azide | natural abundance | 0.01 % |
Bruker DMX - 600 MHz with a Cryo-Probe
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 4.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | pdcd5 | [U-13C] | 1.0-2.0 mM | |
7 | acetic acid | [U-2H] | 100 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | DSS | natural abundance | 0.01 % | |
10 | sodium azide | natural abundance | 0.01 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15864_2k6b.nef |
Input source #2: Coordindates | 2k6b.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
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GSADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------110-- SQQTEKTTTVKFN ||||||||||||| SQQTEKTTTVKFN -------110---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 113 | 0 | 0 | 100.0 |
Content subtype: combined_15864_2k6b.nef
Assigned chemical shifts
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GSADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV 0-------110-- SQQTEKTTTVKFN ||||||||||||| SQQTEKTTTVKFN
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 697 | 639 | 91.7 |
13C chemical shifts | 497 | 477 | 96.0 |
15N chemical shifts | 134 | 114 | 85.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 229 | 225 | 98.3 |
13C chemical shifts | 226 | 224 | 99.1 |
15N chemical shifts | 111 | 109 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 468 | 414 | 88.5 |
13C chemical shifts | 271 | 253 | 93.4 |
15N chemical shifts | 23 | 5 | 21.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 67 | 61 | 91.0 |
13C chemical shifts | 67 | 61 | 91.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 8 | 47.1 |
13C chemical shifts | 17 | 8 | 47.1 |
Distance restraints
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GSADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV ||||||||||||||||||||| ||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SADEELEALRRQRLAELQAKH.DPGDAAQQEAKHREA..RNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV 0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 0-------110-- SQQTEKTTTVKFN ||||||||||| SQQTEKTTTVK 0-------110
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GSADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV 0-------110-- SQQTEKTTTVKFN ||||||||||||| SQQTEKTTTVKFN
Dihedral angle restraints
0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 GSADEELEALRRQRLAELQAKHGDPGDAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARYGQLSEKVSEQGLIEILKKV |||||||||||||||||| ||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||| .SADEELEALRRQRLAELQ...GDP.DAAQQEAKHREAEMRNSILAQVLDQSARARLSNLALVKPEKTKAVENYLIQMARY.QLSEKVSEQGLIEILKKV 0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10 0-------110-- SQQTEKTTTVKFN ||| SQQ 0--