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BMRB: 51044


51044
7RNO
AILV methyl assignments of hpMR1 bound to Ac-6-FP, bB2m and TAPBPR
Authors
McShan, A.C., Sgourakis, N.G.
Assembly
Ac-6-FP/hpMR1/bB2m/TAPBPR complex
Entity
1. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 1 (polymer, Thiol state: all disulfide bound), 271 monomers, 31686.18 Da Detail

MRTHSLRYFR LGVSDPIHGV PEFISVGYVD SHPITTYDSV TRQKEPRAPW MAENLAPDHW ERYTQLLRGW QQMFKVELKR LQRHYNHSGS HTYQRMIGCE LLEDGSTTGF LQYAYDGQDF LIFNKDTLSW LAVDNVAHTI KQAWEANQHE LLYQKNWLEE ECIAWLKRFL EYGKDTLQRT EPPKVRVNHK ETFPGITTLY CRAYGFYPPE ISINWMKNGE EIFQDTDYGG ILPSGDGTYQ TWVSVELDPQ NGDIYSCHVE HGGVHMVLQG F


2. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 2 (polymer, Thiol state: all disulfide bound), 99 monomers, 11766.20 Da Detail

MIQRPPKIQV YSRHPPEDGK PNYLNCYVYG FHPPQIEIDL LKNGEKIKSE QSDLSFSKDW SFYLLSHAEF TPNSKDQYSC RVKHVTLEQP RIVKWDRDL


3. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 3 (polymer, Thiol state: disulfide and other bound), 396 monomers, 42383.58 Da Detail

KPHPAEGQWR AVDVVLDCFL VKDGAHRGAL ASSEDRARAS LVLKQVPVLD DGSLEDFTDF QGGTLAQDDP PIIFEASVDL VQIPQAEALL HADSSGKEVT CEISRYFLQM TETTVKTAAW FMANVQVSGG GPSISLVMKT PRVAKNEVLW HPTLNLPLSP QGTVRTAVEF QVMTQTQSLS FLLGSSASLD CGFSMAPGLD LISVEWRLQH KGRGQLVYSW TAGQGQAVRK GATLEPAQLG MARDASLTLP GLTIQDEGTY ICQITTSLYR AQQIIQLNIQ ASPKVRLSLA NEALLPTLIC DIAGYYPLDV VVTWTREELG GSPAQVSGAS FSSLRQSVAG TYSISSSLTA EPGSAGATYT CQVTHISLEE PLGASTQVVP PERRLEGGLE VLFQGP


4. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 30W (non-polymer), 233.184 Da
Total weight
86069.14 Da
Max. entity weight
42383.58 Da
Source organism
Homo sapiens , Bos taurus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 8.2 %, Completeness: 2.3 %, Completeness (bb): 1.6 % Detail
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Polymer type: polypeptide(L)

Total1H13C
All 2.3 % (190 of 8100) 2.1 % (98 of 4613) 2.6 % (92 of 3487)
Backbone 1.6 % (59 of 3785) 1.4 % (22 of 1544) 1.7 % (37 of 2241)
Sidechain 2.8 % (142 of 5024) 2.4 % (75 of 3069) 3.4 % (67 of 1955)
Aromatic 0.0 % (0 of 779) 0.0 % (0 of 398) 0.0 % (0 of 381)
Methyl12.7 % (108 of 850)12.7 % (54 of 425)12.7 % (54 of 425)

1. entity 1

MRTHSLRYFR LGVSDPIHGV PEFISVGYVD SHPITTYDSV TRQKEPRAPW MAENLAPDHW ERYTQLLRGW QQMFKVELKR LQRHYNHSGS HTYQRMIGCE LLEDGSTTGF LQYAYDGQDF LIFNKDTLSW LAVDNVAHTI KQAWEANQHE LLYQKNWLEE ECIAWLKRFL EYGKDTLQRT EPPKVRVNHK ETFPGITTLY CRAYGFYPPE ISINWMKNGE EIFQDTDYGG ILPSGDGTYQ TWVSVELDPQ NGDIYSCHVE HGGVHMVLQG F

2. entity 2

MIQRPPKIQV YSRHPPEDGK PNYLNCYVYG FHPPQIEIDL LKNGEKIKSE QSDLSFSKDW SFYLLSHAEF TPNSKDQYSC RVKHVTLEQP RIVKWDRDL

3. entity 3

KPHPAEGQWR AVDVVLDCFL VKDGAHRGAL ASSEDRARAS LVLKQVPVLD DGSLEDFTDF QGGTLAQDDP PIIFEASVDL VQIPQAEALL HADSSGKEVT CEISRYFLQM TETTVKTAAW FMANVQVSGG GPSISLVMKT PRVAKNEVLW HPTLNLPLSP QGTVRTAVEF QVMTQTQSLS FLLGSSASLD CGFSMAPGLD LISVEWRLQH KGRGQLVYSW TAGQGQAVRK GATLEPAQLG MARDASLTLP GLTIQDEGTY ICQITTSLYR AQQIIQLNIQ ASPKVRLSLA NEALLPTLIC DIAGYYPLDV VVTWTREELG GSPAQVSGAS FSSLRQSVAG TYSISSSLTA EPGSAGATYT CQVTHISLEE PLGASTQVVP PERRLEGGLE VLFQGP

Show sample condition
Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273.15 K, pH 7.2


#NameIsotope labelingTypeConcentration
1hpMR1[U-12C; U-15N; U-2H; Ile CD1, Leu/Val CD2]100 uM
2bovine beta 2 microglobulinnatural abundance100 uM
3TAPBPRnatural abundance300 uM
4Acetyl-6-formylpterinnatural abundance100 uM
5NaClnatural abundance50 mM
6sodium phosphatenatural abundance20 mM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273.15 K, pH 7.2


#NameIsotope labelingTypeConcentration
7bovine beta 2 microglobulin[U-12C; U-15N; U-2H; Ala Cb, Ile CD1, Leu/Val CD1/CD2]100 uM
8hpMR1natural abundance100 uM
9TAPBPRnatural abundance300 uM
10Acetyl-6-formylpterinnatural abundance100 uM
11NaClnatural abundance50 mM
12sodium phosphatenatural abundance20 mM

Chem. Shift Complete2
Sequence coverage: 2.5 %, Completeness: 1.5 %, Completeness (bb): 0.8 % Detail
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Polymer type: polypeptide(L)

Total1H13C
All 1.5 % (251 of 16200) 1.4 % (129 of 9226) 1.7 % (122 of 6974)
Backbone 0.8 % (59 of 7570) 0.7 % (22 of 3088) 0.8 % (37 of 4482)
Sidechain 2.0 % (203 of 10048) 1.7 % (106 of 6138) 2.5 % (97 of 3910)
Aromatic 0.0 % (0 of 1558) 0.0 % (0 of 796) 0.0 % (0 of 762)
Methyl 9.9 % (169 of 1700)10.0 % (85 of 850) 9.9 % (84 of 850)

1. entity 1

MRTHSLRYFR LGVSDPIHGV PEFISVGYVD SHPITTYDSV TRQKEPRAPW MAENLAPDHW ERYTQLLRGW QQMFKVELKR LQRHYNHSGS HTYQRMIGCE LLEDGSTTGF LQYAYDGQDF LIFNKDTLSW LAVDNVAHTI KQAWEANQHE LLYQKNWLEE ECIAWLKRFL EYGKDTLQRT EPPKVRVNHK ETFPGITTLY CRAYGFYPPE ISINWMKNGE EIFQDTDYGG ILPSGDGTYQ TWVSVELDPQ NGDIYSCHVE HGGVHMVLQG F

2. entity 2

MIQRPPKIQV YSRHPPEDGK PNYLNCYVYG FHPPQIEIDL LKNGEKIKSE QSDLSFSKDW SFYLLSHAEF TPNSKDQYSC RVKHVTLEQP RIVKWDRDL

3. entity 3

KPHPAEGQWR AVDVVLDCFL VKDGAHRGAL ASSEDRARAS LVLKQVPVLD DGSLEDFTDF QGGTLAQDDP PIIFEASVDL VQIPQAEALL HADSSGKEVT CEISRYFLQM TETTVKTAAW FMANVQVSGG GPSISLVMKT PRVAKNEVLW HPTLNLPLSP QGTVRTAVEF QVMTQTQSLS FLLGSSASLD CGFSMAPGLD LISVEWRLQH KGRGQLVYSW TAGQGQAVRK GATLEPAQLG MARDASLTLP GLTIQDEGTY ICQITTSLYR AQQIIQLNIQ ASPKVRLSLA NEALLPTLIC DIAGYYPLDV VVTWTREELG GSPAQVSGAS FSSLRQSVAG TYSISSSLTA EPGSAGATYT CQVTHISLEE PLGASTQVVP PERRLEGGLE VLFQGP

Show sample condition
Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273.15 K, pH 7.2


#NameIsotope labelingTypeConcentration
1hpMR1[U-12C; U-15N; U-2H; Ile CD1, Leu/Val CD2]100 uM
2bovine beta 2 microglobulinnatural abundance100 uM
3TAPBPRnatural abundance300 uM
4Acetyl-6-formylpterinnatural abundance100 uM
5NaClnatural abundance50 mM
6sodium phosphatenatural abundance20 mM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273.15 K, pH 7.2


#NameIsotope labelingTypeConcentration
7bovine beta 2 microglobulin[U-12C; U-15N; U-2H; Ala Cb, Ile CD1, Leu/Val CD1/CD2]100 uM
8hpMR1natural abundance100 uM
9TAPBPRnatural abundance300 uM
10Acetyl-6-formylpterinnatural abundance100 uM
11NaClnatural abundance50 mM
12sodium phosphatenatural abundance20 mM

Release date
2021-07-28
Citation
TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules
McShan, A.C., Devlin, C.A., Papadaki, G.F., Sun, Y., Green, A.I., Morozov, G.I., Burslem, G.M., Procko, E., Sgourakis, N.G.
Nat. Chem. Biol. (2022), 18, 859-868, PubMed 35725941 , DOI 10.1038/s41589-022-01049-9 ,
Related entities 1. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 1, : 1 : 196 entities Detail
More details for 197 related entities
Related entities 2. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 2, : 1 : 10 : 184 entities Detail
More details for 195 related entities
Related entities 3. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 3, : 1 : 1 : 27 entities Detail
More details for 29 related entities
Interaction partners 3. Ac-6-FP/hpMR1/bB2m/TAPBPR complex, entity 3, : 11 interactors Detail
More details for 11 interactors identified by 2 citations
Experiments performed 2 experiments Detail
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