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BMRB: 16439

2KMS

Combined high- and low-resolution techniques reveal compact structure in central portion of factor H despite long inter-modular linkers

Authors

Schmidt, C.Q., Herbert, A.P., Guariento, M., Mertens, H.D., Soares, D.C., Uhrin, D., Rowe, A.J., Svergun, D.I., Barlow, P.N.

Assembly

factor H (modules 10-15)

Entity

1. factor H (modules 10-15) (polymer, Thiol state: all disulfide bound), 121 monomers, 13771.40 Da Detail

EAEAAGTCGD IPELEHGWAQ LSSPPYYYGD SVEFNCSESF TMIGHRSITC IHGVWTQLPQ CVAIDKLKKC KSSNLIILEE HLKNKKEFDH NSNIRYRCRG KEGWIHTVCI NGRWDPEVNC S

Formula weight

13771.4 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS50:SG
2	disulfide	sing	1:CYS36:SG	1:CYS61:SG
3	disulfide	sing	1:CYS70:SG	1:CYS109:SG
4	disulfide	sing	1:CYS98:SG	1:CYS120:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 90.5 %, Completeness (bb): 97.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.5 % (1272 of 1405)	87.0 % (637 of 732)	93.4 % (507 of 543)	98.5 % (128 of 130)
Backbone	97.8 % (700 of 716)	98.0 % (241 of 246)	97.5 % (345 of 354)	98.3 % (114 of 116)
Sidechain	85.1 % (682 of 801)	81.5 % (396 of 486)	90.4 % (272 of 301)	100.0 % (14 of 14)
Aromatic	80.6 % (108 of 134)	80.6 % (54 of 67)	79.4 % (50 of 63)	100.0 % (4 of 4)
Methyl	93.5 % (101 of 108)	94.4 % (51 of 54)	92.6 % (50 of 54)

1. factor H (modules 10-15)

EAEAAGTCGD IPELEHGWAQ LSSPPYYYGD SVEFNCSESF TMIGHRSITC IHGVWTQLPQ CVAIDKLKKC KSSNLIILEE HLKNKKEFDH NSNIRYRCRG KEGWIHTVCI NGRWDPEVNC S

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.6

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	20 mM
2	entity	[U-100% 13C; U-100% 15N]	0.62 mM
3	D2O	natural abundance	7 %
4	H2O	natural abundance	93 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	na	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	na	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	na	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	na	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.4 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KMS, Strand ID: A Detail

Release date

2009-11-18

Citation

The central portion of factor H (modules 10-15) is compact and contains a structurally deviant CCP module
Schmidt, C.Q., Herbert, A.P., Mertens, H.D.T., Guariento, M., Soares, D.C., Uhrin, D., Rowe, A.J., Svergun, D.I., Barlow, P.N.
J. Mol. Biol. (2010), 395, 105-122, PubMed 19835885 , DOI 10.1016/j.jmb.2009.10.010 , Abstract

Related entities 1. factor H (modules 10-15), : 1 : 6 : 157 entities Detail

Interaction partners 1. factor H (modules 10-15), : 17 interactors Detail

More details for 17 interactors identified by 13 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC