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BMRB: 4754


4754
1J5L
Determination of the three dimensional structure of the synthetic 113Cd3-beta-C domain of lobster MT-1 by Nuclear Magnetic Resonance
Authors
Munoz, A., Forsterling, F.HOLGER., Shaw, C.FRANK., Petering, D.H.
Assembly
metallothionein
Entity
1. metallothionein (polymer, Thiol state: all other bound), 30 monomers, 3128.684 Da Detail

PCEKCTSGCK CPSKDECAKT CSKPCSCCPT


2. CD (non-polymer), 112.411 × 3 Da
Total weight
3465.917 Da
Max. entity weight
3128.684 Da
Entity Connection
metal coordination 12 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1metal coordinationsing2:CD1:CD1:CYS11:SG
2metal coordinationsing2:CD1:CD1:CYS17:SG
3metal coordinationsing2:CD1:CD1:CYS21:SG
4metal coordinationsing2:CD1:CD1:CYS28:SG
5metal coordinationsing2:CD1:CD1:CYS5:SG
6metal coordinationsing2:CD1:CD1:CYS9:SG
7metal coordinationsing2:CD1:CD1:CYS27:SG
8metal coordinationsing2:CD1:CD1:CYS28:SG
9metal coordinationsing2:CD1:CD1:CYS2:SG
10metal coordinationsing2:CD1:CD1:CYS5:SG
11metal coordinationsing2:CD1:CD1:CYS21:SG
12metal coordinationsing2:CD1:CD1:CYS25:SG

Source organism
Homarus americanus
Exptl. method
NMR
Refine. method
ab initio simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 100.0 %, Completeness: 96.3 %, Completeness (bb): 100.0 % Detail
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Polymer type: polypeptide(L)

Total1H
All96.3 % (158 of 164)96.3 % (158 of 164)
Backbone100.0 % (57 of 57)100.0 % (57 of 57)
Sidechain94.4 % (101 of 107)94.4 % (101 of 107)
Methyl100.0 % (4 of 4)100.0 % (4 of 4)

1. metallothionein

PCEKCTSGCK CPSKDECAKT CSKPCSCCPT

Show sample condition
Sample

Temperature 298 (±1) K, pH 7.6 (±0.2)


#NameIsotope labelingTypeConcentration
1metallothionein[U-99% 113Cd]1.0 ~ 2.0 mM

Chem. Shift Complete2
Sequence coverage: 6.7 %, Completeness: 52.4 %, Completeness (bb): 51.8 % Detail
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Polymer type: polypeptide(L)

Total1H
All52.4 % (172 of 328)52.4 % (172 of 328)
Backbone51.8 % (59 of 114)51.8 % (59 of 114)
Sidechain52.8 % (113 of 214)52.8 % (113 of 214)
Methyl50.0 % (4 of 8)50.0 % (4 of 8)

1. metallothionein

PCEKCTSGCK CPSKDECAKT CSKPCSCCPT

Show sample condition
Sample

Temperature 298 (±1) K, pH 7.6 (±0.2)


#NameIsotope labelingTypeConcentration
1metallothionein[U-99% 113Cd]1.0 ~ 2.0 mM

Chem. Shift Complete3
Sequence coverage: 3.3 %, Completeness: 36.4 %, Completeness (bb): 35.1 % Detail
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Polymer type: polypeptide(L)

Total1H
All36.4 % (179 of 492)36.4 % (179 of 492)
Backbone35.1 % (60 of 171)35.1 % (60 of 171)
Sidechain37.1 % (119 of 321)37.1 % (119 of 321)
Methyl33.3 % (4 of 12)33.3 % (4 of 12)

1. metallothionein

PCEKCTSGCK CPSKDECAKT CSKPCSCCPT

Show sample condition
Sample

Temperature 298 (±1) K, pH 7.6 (±0.2)


#NameIsotope labelingTypeConcentration
1metallothionein[U-99% 113Cd]1.0 ~ 2.0 mM

Chem. Shift Complete4
Sequence coverage: 3.3 %, Completeness: 27.9 %, Completeness (bb): 27.2 % Detail
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Polymer type: polypeptide(L)

Total1H
All27.9 % (183 of 656)27.9 % (183 of 656)
Backbone27.2 % (62 of 228)27.2 % (62 of 228)
Sidechain28.3 % (121 of 428)28.3 % (121 of 428)
Methyl25.0 % (4 of 16)25.0 % (4 of 16)

1. metallothionein

PCEKCTSGCK CPSKDECAKT CSKPCSCCPT

Show sample condition
Sample

Temperature 298 (±1) K, pH 7.6 (±0.2)


#NameIsotope labelingTypeConcentration
1metallothionein[U-99% 113Cd]1.0 ~ 2.0 mM

Protein Blocks Logo
Calculated from 1 models in PDB: 1J5L, Strand ID: A Detail

Release date
2002-04-02
Citation
Structure of the (113)Cd(3)beta domains from Homarus americanus metallothionein-1: hydrogen bonding and solvent accessibility of sulfur atoms
Munoz, A., Forsterling, F.HOLGER., Shaw, C.FRANK., Petering, D.H.
J. Biol. Inorg. Chem. (2002), 7, 713-724, PubMed 12203008 , DOI 10.1007/s00775-002-0345-3 ,
Related entities 1. metallothionein, : 1 : 11 entities Detail
More details for 12 related entities
Experiments performed 5 experiments Detail
nullKeywords C-terminal domain, metal-cadmium cluster, metallothionein