BMRBj - BMREntryMaster

Found 1 Document (1.018 seconds)

BMRB: 15166

2JOD

Pac1-Rshort N-terminal EC domain Pacap(6-38) complex

Authors

Olejniczak, E.T., Sun, C., Song, D., Davis-taber, R.A., Barrett, L.W., Scott, V.E., Richardson, P.L., Pereda-lopez, A., Uchic, M.E., Solomon, L.R., Lake, M.R., Walter, K.A., Hajduk, P.J.

Assembly

pac1r/pacap

Entity

1. pac1-R N-terminal EC domain (polymer, Thiol state: all disulfide bound), 106 monomers, 11979.34 Da Detail

MGSMAHSDGI FKKEQAMCLE KIQRANELMG FNDSSPGCPG MWDNITCWKP AHVGEMVLVS CPELFRIFNP DQDMGVVSRN CTEDGWSEPF PHYFDACGFD EYESET

2. PACAP (6-38) (polymer, Thiol state: not present), 33 monomers, 4025.725 Da Detail

FTDSYSRYRK QMAVKKYLAA VLGKRYKQRV KNK

Total weight

16005.064 Da

Max. entity weight

11979.34 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS18:SG	1:CYS47:SG
2	disulfide	sing	1:CYS38:SG	1:CYS81:SG
3	disulfide	sing	1:CYS61:SG	1:CYS97:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 70.5 %, Completeness: 55.9 %, Completeness (bb): 64.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	55.9 % (918 of 1642)	52.4 % (452 of 862)	60.3 % (382 of 634)	57.5 % (84 of 146)
Backbone	64.1 % (526 of 820)	64.1 % (180 of 281)	65.6 % (267 of 407)	59.8 % (79 of 132)
Sidechain	50.7 % (482 of 951)	46.8 % (272 of 581)	57.6 % (205 of 356)	35.7 % (5 of 14)
Aromatic	52.3 % (92 of 176)	55.7 % (49 of 88)	47.1 % (40 of 85)	100.0 % (3 of 3)
Methyl	68.8 % (66 of 96)	68.8 % (33 of 48)	68.8 % (33 of 48)

1. pac1-R N-terminal EC domain

MGSMAHSDGI FKKEQAMCLE KIQRANELMG FNDSSPGCPG MWDNITCWKP AHVGEMVLVS CPELFRIFNP DQDMGVVSRN CTEDGWSEPF PHYFDACGFD EYESET

2. PACAP (6-38)

FTDSYSRYRK QMAVKKYLAA VLGKRYKQRV KNK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	pac1-R N-terminal EC domain	[U-100% 13C; U-100% 15N]		0.5 ~ 1.0 mM
2	PACAP (6-38)	natural abundance		0.5 ~ 1.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	0.0 ppm	external	direct	1.0
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	116.3 ppm	external	direct	1.0

Referencing offset: -0.23 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	0.0 ppm	external	direct	1.0
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	116.3 ppm	external	direct	1.0

Referencing offset: -0.23 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	0.0 ppm	external	direct	1.0
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	116.3 ppm	external	direct	1.0

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	0.0 ppm	external	direct	1.0
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	116.3 ppm	external	direct	1.0

Referencing offset: 0.96 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 1 models in PDB: 2JOD, Strand ID: A, B Detail

Release date

2008-02-06

Citation

Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS
Sun, C., Song, D., Davis-taber, R.A., Barrett, L.W., Scott, V.E., Richardson, P.L., Pereda-lopez, A., Uchic, M.E., Solomon, L.R., Lake, M.R., Walter, K.A., Hajduk, P.J., Olejniczak, E.T.
Proc. Natl. Acad. Sci. U. S. A. (2007), 104, 7875-7880, PubMed 17470806 , DOI 10.1073/pnas.0611397104 , Abstract

Entries sharing articles Swiss-Prot: 2 entries Detail

  Swiss-Prot: P41586 released on 1995-11-01
    Title PACR_HUMAN Entity Pituitary adenylate cyclase-activating polypeptide type I receptor
  Swiss-Prot: P18509 released on 1990-11-01
    Title PACA_HUMAN Entity Pituitary adenylate cyclase-activating polypeptide

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Found 1 Document (1.018 seconds)

BMRB: 15166

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 2 entries Detail

Related entities 1. pac1-R N-terminal EC domain, : 43 entities Detail

Related entities 2. PACAP (6-38), : 1 : 14 : 2 : 1 : 22 entities Detail

Interaction partners 1. pac1-R N-terminal EC domain, : 1 : 1 interactors Detail

Interaction partners 2. PACAP (6-38), : 3 : 1 interactors Detail

Experiments performed 1 experiments Detail

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Sample