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Crystal structure of mbp-tagged REV7-ipab complex

Analyse Crystal structure of mbp-tagged REV7-ipab complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KEA
Type
protein
Length
2,321 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding periplasmic PROTEIN,LINKER,HREV7,LINKER, invasin IPAB,HREV3
UniProt
P0AEX9, Q9UI95, P18011, O60673
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding periplasmic PROTEIN,LINKER,HREV7,LINKER, invasin IPAB,HREV3protein58141% helix, 25% strandP0AEX9, Q9UI95, P18011, O60673
BMaltose-binding periplasmic PROTEIN,LINKER,HREV7,LINKER, invasin IPAB,HREV3protein58240% helix, 24% strandP0AEX9, Q9UI95, P18011, O60673
CMaltose-binding periplasmic PROTEIN,LINKER,HREV7,LINKER, invasin IPAB,HREV3protein57443% helix, 24% strandP0AEX9, Q9UI95, P18011, O60673
DMaltose-binding periplasmic PROTEIN,LINKER,HREV7,LINKER, invasin IPAB,HREV3protein58440% helix, 24% strandP0AEX9, Q9UI95, P18011, O60673

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17600.760.8167empty
25660.700.7963empty
36500.660.7570empty
43790.650.7947empty
54160.600.7550empty

Interfaces

5 interfaces between chains.

  • A–B · 664 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 638 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 534 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 200 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 98 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6KEA · crystal structure of MBP-tagged REV7-IpaB complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UI95 · AlphaFold monomer V2.0 prediction for mitotic spindle assembly checkpoint protein MAD2B… · a predicted model of the same protein · chain A against A, TM-score 0.35
  • P18011 · AlphaFold monomer V2.0 prediction for invasin ipab (P18011) · a predicted model of the same protein · chain D against A, TM-score 0.22

Analyse

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