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Interphotoreceptor retinoid-binding protein (irbp) in complex with a monoclonal antibody (F3F5 MAB5)

Analyse Interphotoreceptor retinoid-binding protein (irbp) in complex with a monoclonal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JTI
Type
protein
Length
1,639 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MAB5 Fab light chain; MAB5 Fab heavy chain; Retinol-binding protein 3
UniProt
P12661
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 6 distinct chains · 28% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LMAB5 Fab light chainprotein2108% helix, 55% strand—
HMAB5 Fab heavy chainprotein2213% helix, 51% strand—
ARetinol-binding protein 3protein30336% helix, 20% strandP12661
BRetinol-binding protein 3protein30939% helix, 21% strand—
CRetinol-binding protein 3protein30037% helix, 21% strandP12661
DRetinol-binding protein 3protein29635% helix, 22% strandP12661

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12960.830.9328empty
23080.780.8838empty
34270.720.8262empty
41950.710.8821empty
51170.680.9031empty

Interfaces

6 interfaces between chains.

  • L–H · 1778 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 630 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 584 Ų buried · 36 hydrogen bonds · protein-protein
  • C–D · 538 Ų buried · 48 hydrogen bonds · protein-protein
  • H–A · 451 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7JTI · Interphotoreceptor retinoid-binding protein (IRBP) in complex with a monoclonal antibody… · the same entry in another collection · chain D against D, TM-score 1.00
  • P12661 · AlphaFold monomer V2.0 prediction for retinol-binding protein 3 (P12661) · a predicted model of the same protein · chain D against A, TM-score 0.91

Analyse

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