BMRBj - BMREntryMaster

Found 1 Document (1.147 seconds)

BMRB: 18942

2M32

alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide

Authors

Chin, Y., Headey, S., Mohanty, B., McEwan, P., Swarbrick, J., Mulhern, T., Emsley, J., Simpson, J., Scanlon, M.

Assembly

alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide

Entity

1. alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide, entity 1 (polymer), 192 monomers, 21485.07 Da Detail

STQLDIVIVL DGSNSIYPWD SVTAFLNDLL ERMDIGPKQT QVGIVQYGEN VTHEFNLNKY SSTEEVLVAA KKIVQRGGRQ TMTALGIDTA RKEAFTEARG ARRGVKKVMV IVTDGESHDN HRLKKVIQDC EDENIQRFSI AILGSYNRGN LSTEKFVEEI KSIASEPTEK HFFNVSDELA LVTIVKTLGE RI

2. alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide, entity 2 (polymer, Thiol state: not present), 23 monomers, 1962.059 × 3 Da Detail

XGPXGPXGLX GENGPXGPXG PXX

3. alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide, entity MG (non-polymer), 24.305 Da

Total weight

27395.55 Da

Max. entity weight

21485.07 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	3:MG1:MG	2:GLU12:O
2	metal coordination	sing	3:MG1:MG	2:GLU12:O
3	metal coordination	sing	3:MG1:MG	2:GLU12:O
4	metal coordination	sing	3:MG1:MG	1:SER13:O

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.8 %, Completeness: 81.8 %, Completeness (bb): 89.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.8 % (1935 of 2365)	80.6 % (990 of 1229)	82.0 % (752 of 917)	88.1 % (193 of 219)
Backbone	89.6 % (1098 of 1226)	89.9 % (383 of 426)	88.7 % (533 of 601)	91.5 % (182 of 199)
Sidechain	76.5 % (1015 of 1326)	75.6 % (607 of 803)	78.9 % (397 of 503)	55.0 % (11 of 20)
Aromatic	50.0 % (65 of 130)	55.4 % (36 of 65)	43.8 % (28 of 64)	100.0 % (1 of 1)
Methyl	95.9 % (236 of 246)	96.7 % (119 of 123)	95.1 % (117 of 123)

1. entity 1

2. entity 2

XGPXGPXGLX GENGPXGPXG PX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Concentration
1	entity_1	[U-98% 13C; U-98% 15N]	1.2 mM
2	entity_2	natural abundance	2.4 mM
3	HEPES	natural abundance	50 mM
4	NaCl	natural abundance	50 mM
5	MgCl2	natural abundance	5 mM

LACS Plot; CA

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

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M32, Strand ID: A, B, C, D Detail

Release date

2013-11-07

Citation

The structure of integrin α1I domain in complex with a collagen-mimetic peptide
Chin, Y., Headey, S.J., Mohanty, B., Patil, R., McEwan, P.A., Swarbrick, J.D., Mulhern, T.D., Emsley, J., Simpson, J.S., Scanlon, M.J.
J. Biol. Chem. (2013), 288, 36796-36809, PubMed 24187131 , DOI 10.1074/jbc.M113.480251 , Abstract

Related entities 1. alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide, entity 1, : 1 : 168 entities Detail

Related entities 2. alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide, entity 2, : 7 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC