BMRB: 4173

Solution Structure of the Catalytic Domain of Human Stromelysin-1 Complexed to a Potent, Non-peptidic Inhibitor

Authors

Li, Y., Zhang, X., Melton, R., Ganu, V., Gonnella, N.C.

Assembly

stromelysin-1 subunit 1

Entity

1. STROMELYSIN-1 (polymer, Thiol state: not present), 173 monomers, 19395.33 Da Detail

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

2. CYCLOHEXYLAMMONIUM ION (non-polymer), 100.182 Da
3. ZINC ION (non-polymer), 65.409 Da

Total weight

19560.92 Da

Max. entity weight

19395.33 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.7 %, Completeness: 79.2 %, Completeness (bb): 96.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	79.2 % (947 of 1196)	77.4 % (793 of 1025)	90.1 % (154 of 171)
Backbone	96.8 % (488 of 504)	96.8 % (334 of 345)	96.9 % (154 of 159)
Sidechain	66.3 % (459 of 692)	67.5 % (459 of 680)	0.0 % (0 of 12)
Aromatic	29.4 % (35 of 119)	30.2 % (35 of 116)	0.0 % (0 of 3)
Methyl	91.2 % (83 of 91)	91.2 % (83 of 91)

1. STROMELYSIN-1

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

Show sample condition

Sample

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	STROMELYSIN-1			0.0 ~ 0.0 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 1BM6, Strand ID: A Detail

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Release date

2000-04-02

Citation

Solution structure of the catalytic domain of human stromelysin-1 complexed to a potent, nonpeptidic inhibitor
Li, Y., Zhang, X., Melton, R., Ganu, V., Gonnella, N.C.
Biochemistry (1998), 37, 14048-14056, PubMed 9760240 , DOI 10.1021/bi981328w , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. STROMELYSIN-1, : 1 : 24 : 20 : 232 entities Detail

Interaction partners 1. STROMELYSIN-1, : 2 interactors Detail

Experiments performed 10 experiments Detail