BMRB: 5073

Solution structure of the monomeric variant of the chemokine MIP-1beta

Authors

Kim, S., Jao, S., Laurence, J.S., LiWang, P.J.

Assembly

macrophage inflammatory protein 1-beta (MIP-1beta)

Entity

1. macrophage inflammatory protein 1-beta (MIP-1beta) (polymer, Thiol state: all disulfide bound), 69 monomers, 7742.595 Da Detail

APMGSDPPTA CCASYTARKL PRNFVVDYYE TSSLCSQPAV VFQTKRSKQV CADPSESWVQ EYVYDLELN

Formula weight

7742.595 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS35:SG
2	disulfide	sing	1:CYS12:SG	1:CYS51:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

The initial fold was obtained by distance geometry and further refined by simulated annealing.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 74.1 %, Completeness (bb): 79.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	74.1 % (581 of 784)	80.3 % (326 of 406)	62.7 % (193 of 308)	88.6 % (62 of 70)
Backbone	79.4 % (319 of 402)	94.7 % (126 of 133)	64.1 % (132 of 206)	96.8 % (61 of 63)
Sidechain	72.4 % (326 of 450)	73.3 % (200 of 273)	73.5 % (125 of 170)	14.3 % (1 of 7)
Aromatic	26.4 % (19 of 72)	50.0 % (18 of 36)	0.0 % (0 of 35)	100.0 % (1 of 1)
Methyl	90.6 % (58 of 64)	90.6 % (29 of 32)	90.6 % (29 of 32)

1. MIP-1 beta

APMGSDPPTA CCASYTARKL PRNFVVDYYE TSSLCSQPAV VFQTKRSKQV CADPSESWVQ EYVYDLELN

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 2.5

#	Name	Isotope labeling	Type	Concentration
1	MIP-1 beta	[U-15N; U-13C]		1.0 ~ 2.0 mM
2	sodium phosphate			20 mM
3	H2O			90 %
4	D2O			10 %

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LACS Plot; CA

Referencing offset: 0.18 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	na	na	0.0 ppm	null	null	0.0
1H	na	na	0.0 ppm	null	null	0.0
15N	na	na	0.0 ppm	null	null	0.0

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LACS Plot; CB

Referencing offset: 0.18 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	na	na	0.0 ppm	null	null	0.0
1H	na	na	0.0 ppm	null	null	0.0
15N	na	na	0.0 ppm	null	null	0.0

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LACS Plot; HA

Referencing offset: -0.07 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	na	na	0.0 ppm	null	null	0.0
1H	na	na	0.0 ppm	null	null	0.0
15N	na	na	0.0 ppm	null	null	0.0

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Protein Blocks Logo

Calculated from 1 models in PDB: 1JE4, Strand ID: A Detail

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Release date

2001-07-08

Citation

Structural comparison of monomeric variants of the chemokine MIP-1beta having differing ability to bind the receptor CCR5
Kim, S., Jao, S., Laurence, J.S., LiWang, P.J.
Biochemistry (2001), 40, 10782-10791, PubMed 11535053 , DOI: , Abstract

Related entities 1. macrophage inflammatory protein 1-beta (MIP-1beta), : 1 : 11 : 268 entities Detail

Interaction partners 1. macrophage inflammatory protein 1-beta (MIP-1beta), : 6 interactors Detail

Experiments performed 3 experiments Detail