BMRB: 30977

NMR structure of crosslinked cyclophilin A

Authors

Lu, M., Toptygin, D., Xiang, Y., Shi, Y., Schwieters, C.D., Lipinski, E.C., Ahn, J., Byeon, I.J.L., Gronenborn, A.M.

Assembly

Peptidyl-prolyl cis-trans isomerase A (E.C.5.2.1.8)

Entity

1. Peptidyl-prolyl cis-trans isomerase A (E.C.5.2.1.8) (polymer), 165 monomers, 18041.29 Da Detail

MQNPTVFFDI AVDGEPLGRV SFELFADKVP KTAENFRALS TGEKGFGYKG SCFHRIIPGF MCQGGDFTRH NGTGGKSIYG EKFEDENFIL KHTGPGILSM ANAGPNTNGS QFFICTAKTE WLDGKHVVFG KVKEGMNIVE AMERFGSRNG KTSKKITIAD CGQLE

Formula weight

18041.29 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 78.3 %, Completeness (bb): 82.3 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	78.3 % (1492 of 1906)	79.9 % (790 of 989)	72.0 % (531 of 738)	95.5 % (171 of 179)
Backbone	82.3 % (805 of 978)	93.4 % (324 of 347)	68.9 % (325 of 472)	98.1 % (156 of 159)
Sidechain	77.3 % (827 of 1070)	72.6 % (466 of 642)	84.8 % (346 of 408)	75.0 % (15 of 20)
Aromatic	67.5 % (131 of 194)	69.1 % (67 of 97)	66.7 % (64 of 96)	0.0 % (0 of 1)
Methyl	91.4 % (128 of 140)	94.3 % (66 of 70)	88.6 % (62 of 70)

1. entity 1

MQNPTVFFDI AVDGEPLGRV SFELFADKVP KTAENFRALS TGEKGFGYKG SCFHRIIPGF MCQGGDFTRH NGTGGKSIYG EKFEDENFIL KHTGPGILSM ANAGPNTNGS QFFICTAKTE WLDGKHVVFG KVKEGMNIVE AMERFGSRNG KTSKKITIAD CGQLE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 390 uM [U-13C; U-15N] cyclophilin A, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	cyclophilin A	[U-13C; U-15N]		390 uM
2	sodium phosphate	natural abundance		25 mM
3	TCEP	natural abundance		1 mM
4	NaN3	natural abundance		0.02 %

Hide sample codition

Release date

2022-01-18

Citation

The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink
Lu, M., Toptygin, D., Xiang, Y., Shi, Y., Schwieters, C.D., Lipinski, E.C., Ahn, J., Byeon, I.J.L., Gronenborn, A.M.
J. Am. Chem. Soc. (2022), 144, 10809-10816, PubMed 35574633 , DOI 10.1021/jacs.2c02054 , Abstract

Related entities 1. Peptidyl-prolyl cis-trans isomerase A (E.C.5.2.1.8), : 1 : 109 : 198 entities Detail

Interaction partners 1. Peptidyl-prolyl cis-trans isomerase A (E.C.5.2.1.8), : 83 interactors Detail

Experiments performed 10 experiments Detail