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Crystal structure of the rpgr RCC1-like domain in complex with the rpgr-interacting domain of RPGRIP1

Analyse Crystal structure of the rpgr RCC1-like domain in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4QAM
Type
protein
Length
544 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
X-linked retinitis pigmentosa GTPase regulator; X-linked retinitis pigmentosa GTPase…
UniProt
Q92834, Q96KN7
Ligands
MG
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AX-linked retinitis pigmentosa GTPase regulatorprotein3646% helix, 46% strandQ92834
BX-linked retinitis pigmentosa GTPase regulator-interacting protein 1protein18023% helix, 36% strandQ96KN7

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A
  • GOL · Glycerol · additive · 7 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12820.770.8945GOL
22390.550.7740empty
3540.300.7615empty

Interfaces

1 interface between chains.

  • A–B · 1298 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

  • 4QAM · Crystal Structure of the RPGR RCC1-like domain in complex with the RPGR-interacting… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q92834 · AlphaFold monomer V2.0 prediction for X-linked retinitis pigmentosa GTPase regulator… · a predicted model of the same protein · chain A against A, TM-score 1.00
  • Q96KN7 · AlphaFold monomer V2.0 prediction for X-linked retinitis pigmentosa GTPase… · a predicted model of the same protein · chain B against A, TM-score 0.96

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