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Crystal structure of the MUTB F164L mutant from crystals soaked with isomaltulose

X-ray diffraction
2.01Å resolution
PDB entry 4gia coloured by chain, front view.
PDB entry 4gia coloured by chain, side view.
PDB entry 4gia coloured by chain, top view.
Source organism: Rhizobium sp. MX-45
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Glycosyl hydrolase family 13 catalytic domain-containing protein
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Multimeric state: monomeric
Accessible surface area: 20581.34 Å2
Buried surface area: 1812.93 Å2
Dissociation area: 210.49 Å2
Dissociation energy (ΔGdiss): -4.84 kcal/mol
Dissociation entropy (TΔSdiss): 1.55 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-125904
Monomeric assembly 1 of PDB entry 4gia coloured by chemically distinct molecules, front view.
Monomeric assembly 1 of PDB entry 4gia coloured by chemically distinct molecules, side view.
Monomeric assembly 1 of PDB entry 4gia coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 95%
No. subunits : 1
Symmetry : None
More details
3DComplex & QSbio predictionx
No. subunits : 1
Symmetry : None
Evidence : This biological assembly agrees with the prediction of both PISA & EPPIC
Assembly 2
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Assembly Name: Glycosyl hydrolase family 13 catalytic domain-containing protein
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Multimeric state: monomeric
Accessible surface area: 21108.43 Å2
Buried surface area: 1873.1 Å2
Dissociation area: 106.6 Å2
Dissociation energy (ΔGdiss): 0.01 kcal/mol
Dissociation entropy (TΔSdiss): 0.78 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-125904
Monomeric assembly 2 of PDB entry 4gia coloured by chemically distinct molecules, front view.
Monomeric assembly 2 of PDB entry 4gia coloured by chemically distinct molecules, side view.
Monomeric assembly 2 of PDB entry 4gia coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 95%
No. subunits : 1
Symmetry : None
More details
3DComplex & QSbio predictionx
No. subunits : 1
Symmetry : None
Evidence : This biological assembly agrees with the prediction of both PISA & EPPIC

Macromolecules

Glycosyl hydrolase family 13 catalytic domain-containing protein
Chains: A, B
Length: 557 amino acids
Theoretical weight: 63.9 KDa
Source organism: Rhizobium sp. MX-45
Expression system: Escherichia coli
UniProt:
  • Canonical: M1E1F3 (Residues: 1-557; Coverage: 100%)
Gene name: mutB
Pfam:
InterPro:
CATH:
Glycosyl hydrolase family 13 catalytic domain-containing protein in PDB entry 4gia, assembly 1, front view.
Glycosyl hydrolase family 13 catalytic domain-containing protein in PDB entry 4gia, assembly 1, side view.
Glycosyl hydrolase family 13 catalytic domain-containing protein in PDB entry 4gia, assembly 1, top view.
PDBe-KB: UniProt Coverage View: M1E1F3  
155750100150200250300350400450500550
 
200400
UniProt
M1E1F3
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Sequence conservation
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