BMRBj - BMREntryMaster

Found 1 Document (6.142 seconds)

BMRB: 2208

9AX6

1H, 13C and 15N backbone assignments of cyclophilin when bound to cyclosporin A (CsA) and preliminary structural characterization of the CsA binding site

Authors

Neri, P., Meadows, R.P., Gemmecker, G., Olejniczak, E.T., Nettesheim, D.G., Logan, T., Simmer, R., Helfrich, R., Holzman, T.F., Severin, J., Fesik, S.W.

Assembly

cyclophilin

Entity

1. cyclophilin (polymer), 165 monomers, 18012.29 Da Detail

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

Formula weight

18012.29 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 44.7 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.7 % (848 of 1897)	36.3 % (358 of 986)	45.2 % (334 of 739)	90.7 % (156 of 172)
Backbone	82.4 % (806 of 978)	93.4 % (324 of 347)	69.1 % (326 of 472)	98.1 % (156 of 159)
Sidechain	4.8 % (51 of 1061)	5.3 % (34 of 639)	4.2 % (17 of 409)	0.0 % (0 of 13)
Aromatic	2.1 % (4 of 194)	4.1 % (4 of 97)	0.0 % (0 of 96)	0.0 % (0 of 1)
Methyl	6.9 % (10 of 144)	9.7 % (7 of 72)	4.2 % (3 of 72)

1. cyclophilin

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

Show sample condition

Sample

Temperature 293 K, pH 6.5

Release date

1995-07-30

Citation

1H, 13C and 15N backbone assignments of cyclophilin when bound to cyclosporin A (CsA) and preliminary structural characterization of the CsA binding site
Neri, P., Meadows, R.P., Gemmecker, G., Olejniczak, E.T., Nettesheim, D.G., Logan, T., Simmer, R., Helfrich, R., Holzman, T.F., Severin, J., Fesik, S.W.
FEBS Lett. (1991), 294, 81-88, PubMed 1743298 , DOI 10.1016/0014-5793(91)81348-c , Abstract

Related entities 1. cyclophilin, : 1 : 102 : 7 : 198 entities Detail

Interaction partners 1. cyclophilin, : 83 interactors Detail

More details for 83 interactors identified by 34 citations

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr2208_3.str
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

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr2208_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_data_set_one	Warning	797		98.2 (chain: 1, length: 165)

Assigned chemical shifts

Saveframe: chemical_shift_assignment_data_set_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 165, Sequence coverage: 98.2%
- Total number of assignments
  - ¹³C chemical shifts: 318
  - ¹H chemical shifts: 323
  - ¹⁵N chemical shifts: 156
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	77	0	0.0
¹H chemical shifts	77	0	0.0

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Found 1 Document (6.142 seconds)

BMRB: 2208

Sample

Related entities 1. cyclophilin, : 1 : 102 : 7 : 198 entities Detail

Interaction partners 1. cyclophilin, : 83 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	739	318	43.0
¹H chemical shifts	986	323	32.8
¹⁵N chemical shifts	178	156	87.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	330	318	96.4
¹H chemical shifts	347	323	93.1
¹⁵N chemical shifts	159	156	98.1