BMRB: 15395

SOLUTION STRUCTURE OF MATRIX METALLOPROTEINASE 3 (MMP-3) IN THE PRESENCE OF N-hydroxy-2-[N-(2-hydroxyethyl)biphenyl-4-sulfonamide] hydroxamic acid (MLC88)

Authors

Alcaraz, L.A., Banci, L., Bertini, I., Cantini, F., Donaire, A., Gonnelli, L.

Assembly

MMP3 complex

Entity

1. MMP3 (polymer, Thiol state: not present), 161 monomers, 17990.77 Da Detail

GIPKWRKTHL TYRIVNYTPD LPKDAVDSAV EKALKVWEEV TPLTFSRLYE GEADIMISFA VREHGDDYPF DGPGNVLAHA YAPGPGINGD AHFDDDEQWT KDTTGTNLFL VAAHEIGHSL GLFHSANTEA LMYPLYHSLT DLTRFRLSQD DINGIQSLYG P

2. ZN (non-polymer), 65.409 × 2 Da
3. CA (non-polymer), 40.078 × 2 Da

Total weight

18201.744 Da

Max. entity weight

17990.77 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.8 %, Completeness: 32.8 %, Completeness (bb): 65.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	32.8 % (363 of 1106)	22.5 % (212 of 943)	92.6 % (151 of 163)
Backbone	65.8 % (313 of 476)	50.5 % (164 of 325)	98.7 % (149 of 151)
Sidechain	7.8 % (49 of 630)	7.8 % (48 of 618)	8.3 % (1 of 12)
Aromatic	6.7 % (7 of 104)	6.9 % (7 of 101)	0.0 % (0 of 3)
Methyl	5.6 % (5 of 89)	5.6 % (5 of 89)

1. MMP3

GIPKWRKTHL TYRIVNYTPD LPKDAVDSAV EKALKVWEEV TPLTFSRLYE GEADIMISFA VREHGDDYPF DGPGNVLAHA YAPGPGINGD AHFDDDEQWT KDTTGTNLFL VAAHEIGHSL GLFHSANTEA LMYPLYHSLT DLTRFRLSQD DINGIQSLYG P

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8

#	Name	Isotope labeling	Type	Concentration
1	MMP3	[U-98% 15N]		1 mM
2	H2O			90 %
3	D2O			10 %

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Calculated from 1 models in PDB: 2JT5, Strand ID: A Detail

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Release date

2007-07-19

Citation

Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
Alcaraz, L.A., Banci, L., Bertini, I., Cantini, F., Donaire, A., Gonnelli, L.
J. Biol. Inorg. Chem. (2007), 12, 1197-1206, PubMed 17710450 , DOI 10.1007/s00775-007-0288-9 , Abstract

Related entities 1. MMP3, : 1 : 44 : 233 entities Detail

Interaction partners 1. MMP3, : 2 interactors Detail

Experiments performed 2 experiments Detail