BMRB: 5153

Backbone dynamics of the N-TIMP-1 bound to MMP-3 catalytic domain

Authors

Gao, G., Arumugam, S., Van Doren, S.R.

Assembly

N-terminal domain of Tissue Inhibitor of Metalloproteinases-1/MatrixMetalloProteinase-3(E202Q)(deltaC) complex

Entity

1. N-terminal domain of Tissue Inhibitor of Metalloproteinases-1 (polymer, Thiol state: all disulfide bound), 126 monomers, 14252.16 Da Detail

CTCVPPHPQT AFCNSDLVIR AKFVGTPEVN QTTLYQRYEI KMTKMYKGFQ ALGDAADIRF VYTPAMESVC GYFHRSHNRS EEFLIAGKLQ DGLLHITTCS FVAPWNSLSL AQRRGFTKTY TVGCEE

2. MatrixMetalloProteinases-3(catalytic domain) (polymer, Thiol state: not present), 173 monomers, 19394.35 Da Detail

FRTFPGIPKW RKTHLTYRIV NYTPDLPKDA VDSAVEKALK VWEEVTPLTF SRLYEGEADI MISFAVREHG DFYPFDGPGN VLAHAYAPGP GINGDAHFDD DEQWTKDTTG TNLFLVAAHQ IGHSLGLFHS ANTEALMYPL YHSLTDLTRF RLSQDDINGI QSLYGPPPDS PET

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

Total weight

33897.56 Da

Max. entity weight

19394.35 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS1:SG	1:CYS70:SG
2	disulfide	sing	1:CYS3:SG	1:CYS99:SG
3	disulfide	sing	1:CYS13:SG	1:CYS124:SG

Source organism

Homo sapiens

Exptl. method

NMR

Data set

order_parameters, heteronucl_T1_relaxation, heteronucl_T2_relaxation, heteronucl_NOEs

Heteronucl. T₁

85 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Temperature 307 (±0.5) K, pH 6.22 (±0.05) Detail

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Temperature 307 (±0.5) K, pH 6.22 (±0.05)

Heteronucl. T₂

85 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Temperature 307 (±0.5) K, pH 6.22 (±0.05) Detail

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Temperature 307 (±0.5) K, pH 6.22 (±0.05)

Heteronucl. NOE

85 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Temperature 307 (±0.5) K, pH 6.22 (±0.05) Detail

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Temperature 307 (±0.5) K, pH 6.22 (±0.05)

Heteronucl. T₁/T₂

84 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Temperature 307 (±0.5) K, pH 6.22 (±0.05) Detail

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Temperature 307 (±0.5) K, pH 6.22 (±0.05)

Order parameters

86 S² values in 1 lists
Temperature 307 (±0.5) K, pH 6.22 (±0.05) Detail

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Temperature 307 (±0.5) K, pH 6.22 (±0.05)

List #1 S2_parameters_label

Release date

2002-02-03

Citation

Binding of the MMP-3 catalytic domain to N-TIMP-1 is driven by a large gain in entropy that includes modest contributions from the hydrophobic effect and the TIMP-1 backbone
Gao, G., Arumugam, S., Patton, B., Semenchenko, V., Brew, K., Van Doren, S.R.
J. Mol. Biol.

Related entities 1. N-terminal domain of Tissue Inhibitor of Metalloproteinases-1, : 1 : 5 : 4 : 56 entities Detail

Related entities 2. MatrixMetalloProteinases-3(catalytic domain), : 1 : 90 entities Detail

Interaction partners 1. N-terminal domain of Tissue Inhibitor of Metalloproteinases-1, : 6 interactors Detail

Experiments performed 3 experiments Detail