BMRB: 4177

Monocyte Chemoattractant Protein-3

Authors

Kwon, D., Lee, D., Sykes, B.D., Kim, K.

Assembly

Monocyte chemoattractant protein-3

Entity

1. Monocyte chemoattractant protein-3 (polymer, Thiol state: all disulfide bound), 76 monomers, 8956.334 Da Detail

QPVGINTSTT CCYRFINKKI PKQRLESYRR TTSSHCPREA VIFKTKLDKE ICADPTQKWV QDFMKHLDKK TQTPKL

2. N-terminal cloning artifact (polymer, Thiol state: not present), 4 monomers, 430.4792 Da Detail

GSHM

Total weight

9386.813 Da

Max. entity weight

8956.334 Da

Entity Connection

peptide 1, disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS36:SG
2	disulfide	sing	1:CYS12:SG	1:CYS52:SG
3	peptide	sing	2:MET4:C	1:GLN1:N

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 83.7 %, Completeness (bb): 79.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	83.7 % (824 of 985)	94.5 % (494 of 523)	66.5 % (252 of 379)	94.0 % (78 of 83)
Backbone	79.1 % (372 of 470)	94.3 % (148 of 157)	64.3 % (153 of 238)	94.7 % (71 of 75)
Sidechain	88.7 % (526 of 593)	94.5 % (346 of 366)	79.0 % (173 of 219)	87.5 % (7 of 8)
Aromatic	45.7 % (32 of 70)	88.6 % (31 of 35)	0.0 % (0 of 34)	100.0 % (1 of 1)
Methyl	100.0 % (70 of 70)	100.0 % (35 of 35)	100.0 % (35 of 35)

1. Monocyte chemoattractant protein-3

QPVGINTSTT CCYRFINKKI PKQRLESYRR TTSSHCPREA VIFKTKLDKE ICADPTQKWV QDFMKHLDKK TQTPKL

2. N-terminal cloning artifact

GSHM

Show sample condition

Sample

Temperature 303 (±0.1) K, pH 5.1 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Monocyte_chemoattractant_protein-3	[U-95% 13C; U-95% 15N]		1.9 ~ 2.1 mM

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LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	protons	0.0 ppm	internal	direct	1.0
15N	DSS	protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	protons	0.0 ppm	internal	direct	1.0
15N	DSS	protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.09 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	protons	0.0 ppm	internal	direct	1.0
15N	DSS	protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 1 models in PDB: 1BO0, Strand ID: A Detail

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Coupling constant

68 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 303 (±0.1) K, pH 5.1 (±0.05) Detail

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Temperature 303 (±0.1) K, pH 5.1 (±0.05)

List #1 assigned_coupling_constants_one, Field strength (¹H) 600 MHz

Release date

2001-02-28

Citation 1

Structural characterization of a monomeric chemokine: monocyte chemoattractant protein-3
Kim, K., Rajarathnam, K., Clark-Lewis, I., Sykes, B.D.
FEBS Lett. (1996), 395, 277-282, PubMed 8898111 , DOI: , Abstract

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Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

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Related entities 1. Monocyte chemoattractant protein-3, : 1 : 74 entities Detail

Experiments performed 6 experiments Detail