The structure of Filamin repeat 21 bound to integrin
GGAHKVRAGG PGLERAEAGV PAEFSIWTRE AGAGGLAIAV EGPSKAEISF EDRKDGSCGV AYVVQEPGDY EVSVKFNEEH IPDSPFVVPV ASPSG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 70.3 % (1299 of 1848) | 78.7 % (759 of 965) | 56.4 % (407 of 722) | 82.6 % (133 of 161) |
Backbone | 76.4 % (730 of 956) | 96.7 % (321 of 332) | 58.5 % (276 of 472) | 87.5 % (133 of 152) |
Sidechain | 67.1 % (696 of 1038) | 69.2 % (438 of 633) | 65.2 % (258 of 396) | 0.0 % (0 of 9) |
Aromatic | 19.4 % (33 of 170) | 37.6 % (32 of 85) | 1.2 % (1 of 82) | 0.0 % (0 of 3) |
Methyl | 93.0 % (132 of 142) | 95.8 % (68 of 71) | 90.1 % (64 of 71) |
1. entity 1
GGAHKVRAGG PGLERAEAGV PAEFSIWTRE AGAGGLAIAV EGPSKAEISF EDRKDGSCGV AYVVQEPGDY EVSVKFNEEH IPDSPFVVPV ASPSG2. entity 2
WKVGFFKRNR PPLEEDDEEG E3. entity 3
KKKITIHDRK EFAKFEEERA RAKWDTANNP LYKEATSTFT NITYRGTSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.0 ~ 0.0 mM | |
3 | entity_3 | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.0 ~ 0.0 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.0 ~ 0.0 mM | |
3 | entity_3 | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.0 ~ 0.0 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 13C; U-100% 15N; U-80% 2H] | 1 mM | |
2 | entity_2 | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.0 ~ 0.0 mM | |
3 | entity_3 | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.0 ~ 0.0 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25176_2mtp.nef |
Input source #2: Coordindates | 2mtp.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
----2240---2250------2260------2270------2280------2290------2300------2310------2320------2330 GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG --------10--------20--------30--------40--------50--------60--------70--------80--------90-----
--990----1000-------- WKVGFFKRNRPPLEEDDEEGE ||||||||||||||||||||| WKVGFFKRNRPPLEEDDEEGE --------10--------20-
--720-------730-------740-------750-------760-- KKKITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT ||||||||||||||||||||||||||||||||||||||||||||||| KKKITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT --------10--------20--------30--------40-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 95 | 0 | 0 | 100.0 |
B | B | 21 | 0 | 0 | 100.0 |
C | C | 47 | 0 | 0 | 100.0 |
Content subtype: combined_25176_2mtp.nef
Assigned chemical shifts
----2240---2250------2260------2270------2280------2290------2300------2310------2320------2330 GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG
--990----1000-------- WKVGFFKRNRPPLEEDDEEGE ||||||||||||||||||||| WKVGFFKRNRPPLEEDDEEGE
--720-------730-------740-------750-------760-- KKKITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT ||||||||||||||||||||||||||||||||||||||||||||||| KKKITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
2315 | HIS | HE2 | 7.103 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 517 | 444 | 85.9 |
13C chemical shifts | 397 | 263 | 66.2 |
15N chemical shifts | 94 | 87 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 196 | 195 | 99.5 |
13C chemical shifts | 190 | 95 | 50.0 |
15N chemical shifts | 87 | 87 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 321 | 249 | 77.6 |
13C chemical shifts | 207 | 168 | 81.2 |
15N chemical shifts | 7 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 45 | 95.7 |
13C chemical shifts | 47 | 45 | 95.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 38 | 13 | 34.2 |
13C chemical shifts | 37 | 1 | 2.7 |
15N chemical shifts | 1 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 142 | 108 | 76.1 |
13C chemical shifts | 100 | 0 | 0.0 |
15N chemical shifts | 23 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 40 | 95.2 |
13C chemical shifts | 42 | 0 | 0.0 |
15N chemical shifts | 19 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 100 | 68 | 68.0 |
13C chemical shifts | 58 | 0 | 0.0 |
15N chemical shifts | 4 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 4 | 4 | 100.0 |
13C chemical shifts | 4 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 16 | 12 | 75.0 |
13C chemical shifts | 15 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 306 | 206 | 67.3 |
13C chemical shifts | 225 | 137 | 60.9 |
15N chemical shifts | 54 | 46 | 85.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 94 | 88 | 93.6 |
13C chemical shifts | 94 | 47 | 50.0 |
15N chemical shifts | 46 | 46 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 212 | 118 | 55.7 |
13C chemical shifts | 131 | 90 | 68.7 |
15N chemical shifts | 8 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 19 | 95.0 |
13C chemical shifts | 20 | 19 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 5 | 16.1 |
13C chemical shifts | 30 | 0 | 0.0 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
----2240---2250------2260------2270------2280------2290------2300------2310------2320------2330 GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG
--990----1000-------- WKVGFFKRNRPPLEEDDEEGE ||||||||||||||||||||| WKVGFFKRNRPPLEEDDEEGE
--720-------730-------740-------750-------760-- KKKITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT ||||||||||||||||||||||||||||||||||||||||||||||| KKKITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
Dihedral angle restraints
----2240---2250------2260------2270------2280------2290------2300------2310------2320------2330 GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPSG ||||||||| |||||||||||||||||| ||||||||||||||||||||||||||||||| |||||||||||| |||||||||||||| .GAHKVRAGG....RAEAGVPAEFSIWTREAG..GLAIAVEGPSKAEISFEDRKDGSCGVAYVVQ..GDYEVSVKFNEE..PDSPFVVPVASPSG