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X-ray structure of the tetrameric mutant of the B1 domain of streptococcal protein G

Analyse X-ray structure of the tetrameric mutant of the B1 domain of streptococcal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MVK
Type
protein
Length
557 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Immunoglobulin G binding protein G
UniProt
P06654
Ligands
SO4
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 7 distinct chains · 29% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, F, J, KImmunoglobulin G binding protein Gprotein4628% helix, 35% strandP06654
DImmunoglobulin G binding protein Gprotein4531% helix, 36% strandP06654
EImmunoglobulin G binding protein Gprotein4531% helix, 36% strandP06654
GImmunoglobulin G binding protein Gprotein4728% helix, 34% strandP06654
HImmunoglobulin G binding protein Gprotein5028% helix, 32% strandP06654
IImmunoglobulin G binding protein Gprotein4829% helix, 31% strandP06654
LImmunoglobulin G binding protein Gprotein4630% helix, 35% strandP06654

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17450.700.77104SO4
22330.530.7733empty
31680.510.7926SO4
41110.380.7528SO4
5500.370.8014empty

Interfaces

29 interfaces between chains.

  • K–L · 1271 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1266 Ų buried · 12 hydrogen bonds · protein-protein
  • G–H · 1239 Ų buried · 10 hydrogen bonds · protein-protein
  • E–F · 1236 Ų buried · 13 hydrogen bonds · protein-protein
  • I–J · 1207 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 1MVK · X-ray structure of the tetrameric mutant of the B1 domain of streptococcal protein G · the same entry in another collection · chain L against L, TM-score 1.00

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