1G29

MALK


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 0.247 
  • R-Value Work: 0.211 

wwPDB Validation   3D Report Full Report


This is version 1.4 of the entry. See complete history


Literature

Crystal structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archaeon Thermococcus litoralis.

Diederichs, K.Diez, J.Greller, G.Muller, C.Breed, J.Schnell, C.Vonrhein, C.Boos, W.Welte, W.

(2000) EMBO J 19: 5951-5961

  • DOI: https://doi.org/10.1093/emboj/19.22.5951
  • Primary Citation of Related Structures:  
    1G29

  • PubMed Abstract: 

    The members of the ABC transporter family transport a wide variety of molecules into or out of cells and cellular compartments. Apart from a translocation pore, each member possesses two similar nucleoside triphosphate-binding subunits or domains in order to couple the energy-providing reaction with transport. In the maltose transporter of several Gram-negative bacteria and the archaeon Thermo coccus litoralis, the nucleoside triphosphate-binding subunit contains a C-terminal regulatory domain. A dimer of the subunit is attached cytoplasmically to the translocation pore. Here we report the crystal structure of this dimer showing two bound pyrophosphate molecules at 1.9 A resolution. The dimer forms by association of the ATPase domains, with the two regulatory domains attached at opposite poles. Significant deviation from 2-fold symmetry is seen at the interface of the dimer and in the regions corresponding to those residues known to be in contact with the translocation pore. The structure and its relationship to function are discussed in the light of known mutations from the homologous Escherichia coli and Salmonella typhimurium proteins.


  • Organizational Affiliation

    Fachbereich Biologie, Universität Konstanz, M656, D-78457 Konstanz, Germany.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
MALTOSE TRANSPORT PROTEIN MALKA [auth 1],
B [auth 2]
372Thermococcus litoralisMutation(s): 0 
Gene Names: MALK
UniProt
Find proteins for Q9YGA6 (Thermococcus litoralis (strain ATCC 51850 / DSM 5473 / JCM 8560 / NS-C))
Explore Q9YGA6 
Go to UniProtKB:  Q9YGA6
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ9YGA6
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 6 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
POP
Query on POP

Download Ideal Coordinates CCD File 
AA [auth 1],
GB [auth 2]
PYROPHOSPHATE 2-
H2 O7 P2
XPPKVPWEQAFLFU-UHFFFAOYSA-L
DIO
Query on DIO

Download Ideal Coordinates CCD File 
BA [auth 1],
CA [auth 1],
DA [auth 1]
1,4-DIETHYLENE DIOXIDE
C4 H8 O2
RYHBNJHYFVUHQT-UHFFFAOYSA-N
CL
Query on CL

Download Ideal Coordinates CCD File 
AB [auth 2]
BB [auth 2]
D [auth 1]
E [auth 1]
EB [auth 2]
AB [auth 2],
BB [auth 2],
D [auth 1],
E [auth 1],
EB [auth 2],
HA [auth 2],
JA [auth 2],
K [auth 1],
MA [auth 2],
U [auth 1]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
MG
Query on MG

Download Ideal Coordinates CCD File 
GA [auth 2]
H [auth 1]
KA [auth 2]
N [auth 1]
QA [auth 2]
GA [auth 2],
H [auth 1],
KA [auth 2],
N [auth 1],
QA [auth 2],
RA [auth 2],
SA [auth 2],
UA [auth 2],
V [auth 1],
W [auth 1],
YA [auth 2]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
NA
Query on NA

Download Ideal Coordinates CCD File 
CB [auth 2]
DB [auth 2]
F [auth 1]
FB [auth 2]
G [auth 1]
CB [auth 2],
DB [auth 2],
F [auth 1],
FB [auth 2],
G [auth 1],
I [auth 1],
IA [auth 2],
J [auth 1],
L [auth 1],
LA [auth 2],
M [auth 1],
NA [auth 2],
O [auth 1],
OA [auth 2],
P [auth 1],
PA [auth 2],
Q [auth 1],
R [auth 1],
S [auth 1],
T [auth 1],
TA [auth 2],
VA [auth 2],
WA [auth 2],
X [auth 1],
XA [auth 2],
Y [auth 1],
Z [auth 1],
ZA [auth 2]
SODIUM ION
Na
FKNQFGJONOIPTF-UHFFFAOYSA-N
NH4
Query on NH4

Download Ideal Coordinates CCD File 
C [auth 1],
EA [auth 2],
FA [auth 2]
AMMONIUM ION
H4 N
QGZKDVFQNNGYKY-UHFFFAOYSA-O
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.90 Å
  • R-Value Free: 0.247 
  • R-Value Work: 0.211 
  • Space Group: P 21 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 190.718α = 90
b = 65.705β = 90
c = 77.912γ = 90
Software Package:
Software NamePurpose
SHARPphasing
CNSrefinement
MAR345data collection
XDSdata scaling

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2000-12-06
    Type: Initial release
  • Version 1.1: 2008-04-27
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance
  • Version 1.3: 2017-10-04
    Changes: Refinement description
  • Version 1.4: 2024-02-07
    Changes: Data collection, Database references, Derived calculations