Structure of Nrd1p CID - Trf4p NIM complex
MQQDDDFQNF VATLESFKDL KSGISGSRIK KLTTYALDHI DIESKIISLI IDYSRLCPDS HKLGSLYIID SIGRAYLDET RSNSNSSSNK PGTCAHAINT LGEVIQELLS DAIAKSNQDH KEKIRMLLDI WDRSGLFQKS YLNAIRSKCF AMDLEHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 68.1 % (1367 of 2008) | 76.0 % (792 of 1042) | 54.0 % (422 of 781) | 82.7 % (153 of 185) |
Backbone | 72.6 % (749 of 1032) | 87.2 % (306 of 351) | 57.7 % (295 of 511) | 87.1 % (148 of 170) |
Sidechain | 64.5 % (736 of 1141) | 70.3 % (486 of 691) | 56.3 % (245 of 435) | 33.3 % (5 of 15) |
Aromatic | 10.1 % (16 of 158) | 20.3 % (16 of 79) | 0.0 % (0 of 78) | 0.0 % (0 of 1) |
Methyl | 86.1 % (155 of 180) | 88.9 % (80 of 90) | 83.3 % (75 of 90) |
1. entity 1
MQQDDDFQNF VATLESFKDL KSGISGSRIK KLTTYALDHI DIESKIISLI IDYSRLCPDS HKLGSLYIID SIGRAYLDET RSNSNSSSNK PGTCAHAINT LGEVIQELLS DAIAKSNQDH KEKIRMLLDI WDRSGLFQKS YLNAIRSKCF AMDLEHHHHH H2. entity 2
DDDEDGYNPY TLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
13C | water | methyl carbon | 4.7 ppm | internal | direct | 1.0 |
15N | water | nitrogen | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
13C | water | methyl carbon | 4.7 ppm | internal | direct | 1.0 |
15N | water | nitrogen | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
13C | water | methyl carbon | 4.7 ppm | internal | direct | 1.0 |
15N | water | nitrogen | 4.7 ppm | internal | direct | 1.0 |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_2 | natural abundance | 1.5 mM | |
2 | entity_1 | [U-99% 13C; U-99% 15N] | 1 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium phosphate | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19954_2mow.nef |
Input source #2: Coordindates | 2mow.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
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQQDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MQQDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT -------110-------120-------130-------140-------150-------160- LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYLNAIRSKCFAMDLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYLNAIRSKCFAMDLEHHHHHH
------1010-- DDDEDGYNPYTL |||||||||||| DDDEDGYNPYTL --------10--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 161 | 0 | 0 | 100.0 |
B | B | 12 | 0 | 0 | 100.0 |
Content subtype: combined_19954_2mow.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQQDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..QDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160- LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYLNAIRSKCFAMDLEHHHHHH |||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||| LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGL.QKSYLNAIRSKCFAMDLEHHHHH -------110-------120-------130-------140-------150-------160
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 977 | 789 | 80.8 |
15N chemical shifts | 180 | 152 | 84.4 |
13C chemical shifts | 731 | 374 | 51.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 327 | 306 | 93.6 |
15N chemical shifts | 159 | 146 | 91.8 |
13C chemical shifts | 322 | 147 | 45.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 650 | 483 | 74.3 |
15N chemical shifts | 21 | 6 | 28.6 |
13C chemical shifts | 409 | 227 | 55.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 90 | 80 | 88.9 |
13C chemical shifts | 90 | 74 | 82.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 71 | 15 | 21.1 |
15N chemical shifts | 1 | 0 | 0.0 |
13C chemical shifts | 70 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQQDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||| |||||||||| ..Q.DDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRS..NSS...PGTCAHAINT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160- LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYLNAIRSKCFAMDLEHHHHHH |||||||||||||||||||||||||||||||||||||||||| |||||||||||||||| LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYL.AIRSKCFAMDLEHHHH -------110-------120-------130-------140-------150---------
------1010-- DDDEDGYNPYTL | ||| |||||| D.DED.YNPYTL
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQQDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT ||||||||||||| ||||||||||||| |||||||||||||| |||||||||||||||||||||||| ||||||| ......FQNFVATLESFKD......GSRIKKLTTYALD....ESKIISLIIDYSRL..DSHKLGSLYIIDSIGRAYLDETRS...........CAHAINT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160- LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYLNAIRSKCFAMDLEHHHHHH || ||||||||||| ||||||||||||||||| | ||| || LG..IQELLSDAIAK..QDHKEKIRMLLDIWDRS........N...SKC..MD -------110-------120-------130-------140-------150---
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MQQDDDFQNFVATLESFKDLKSGISGSRIKKLTTYALDHIDIESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSNSNSSSNKPGTCAHAINT ||||||||||||||| ||||||||||||||| |||||||||||||||||||||||||||||||||||||||||| |||||||| .....DFQNFVATLESFKDL....SGSRIKKLTTYALDH..IESKIISLIIDYSRLCPDSHKLGSLYIIDSIGRAYLDETRSN.........TCAHAINT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160- LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSGLFQKSYLNAIRSKCFAMDLEHHHHHH ||||||||||||||||||||||||||||||||||| ||||||||||||| LGEVIQELLSDAIAKSNQDHKEKIRMLLDIWDRSG......LNAIRSKCFAMDL -------110-------120-------130-------140-------150----