BMRBj - BMREntryMaster

Found 1 Document (1.761 seconds)

BMRB: 19315

2M9Y

Solution Structure of the Catalytic Domain of HHARI

Authors

Mercier, P., Spratt, D.E., Shaw, G.S.

Assembly

HHARI Catalytic Domain

Entity

1. HHARI Catalytic Domain, entity 1 (polymer, Thiol state: free and other bound), 74 monomers, 8428.169 Da Detail

GSKKCDDDSE TSNWIAANTK ECPKCHVTIE KDGGSNHMVC RNQNCKAEFC WVCLGPWEPH GSAWYNCNRY NEDD

2. HHARI Catalytic Domain, entity ZN (non-polymer), 65.409 × 2 Da

Total weight

8558.987 Da

Max. entity weight

8428.169 Da

Entity Connection

disulfide 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS50:SG	2:ZN1:ZN
2	disulfide	sing	1:HIS60:NE2	2:ZN1:ZN
3	disulfide	sing	1:CYS67:SG	2:ZN1:ZN
4	disulfide	sing	1:CYS53:SG	2:ZN1:ZN
5	disulfide	sing	1:CYS40:SG	2:ZN1:ZN
6	disulfide	sing	1:CYS22:SG	2:ZN1:ZN
7	disulfide	sing	1:CYS25:SG	2:ZN1:ZN
8	disulfide	sing	1:CYS45:SG	2:ZN1:ZN

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 83.3 %, Completeness (bb): 80.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.3 % (689 of 827)	88.4 % (382 of 432)	72.7 % (226 of 311)	96.4 % (81 of 84)
Backbone	80.4 % (352 of 438)	93.3 % (140 of 150)	66.4 % (144 of 217)	95.8 % (68 of 71)
Sidechain	88.6 % (406 of 458)	85.8 % (242 of 282)	92.6 % (151 of 163)	100.0 % (13 of 13)
Aromatic	88.4 % (76 of 86)	88.4 % (38 of 43)	87.2 % (34 of 39)	100.0 % (4 of 4)
Methyl	100.0 % (38 of 38)	100.0 % (19 of 19)	100.0 % (19 of 19)

1. entity 1

GSKKCDDDSE TSNWIAANTK ECPKCHVTIE KDGGSNHMVC RNQNCKAEFC WVCLGPWEPH GSAWYNCNRY NEDD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 13C,15N-HHARI RING2

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	sodium chloride	natural abundance	120 mM
3	DTT	natural abundance	5 mM
4	entity_1	[U-98% 15N]	2.3 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 13C,15N-HHARI RING2

#	Name	Isotope labeling	Concentration
5	MES	natural abundance	20 mM
6	sodium chloride	natural abundance	120 mM
7	DTT	natural abundance	5 mM
8	entity_1	[U-98% 13C; U-98% 15N]	2.3 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: -0.23 ppm, Outliers: 1 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: -0.23 ppm, Outliers: 1 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: 0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M9Y, Strand ID: A Detail

Release date

2013-11-10

Citation

Structure of the HHARI catalytic domain shows glimpses of a HECT E3 ligase
Spratt, D.E., Mercier, P., Gary, S.S.
PLoS One (2013), 8, e74047-e74047, PubMed 24058416 , DOI 10.1371/journal.pone.0074047 , Abstract

Related entities 1. HHARI Catalytic Domain, entity 1, : 1 : 16 : 88 entities Detail

Interaction partners 1. HHARI Catalytic Domain, entity 1, : 3 interactors Detail

More details for 3 interactors identified by 2 citations