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MolNFT v1 · #93980 · protein

Crystal structure of the human gipr ecd in complex with GIPG013 Fab at 3-a resolution

4HJ0 · Gastric inhibitory polypeptide receptor: “Crystal structure of the human gipr ecd in complex with GIPG013 Fab at 3-a resolution”. X-ray diffraction, 18 pockets (best druggability 0.69). MolNFT v1 #93980 on GenesisL1: 3D structure…

PDB
4HJ0
Type
protein
Length
1,015 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Gastric inhibitory polypeptide receptor; GIPG013 Fab, antagonizing antibody to the gip…
UniProt
P48546
Pockets
18 · best druggability 0.69

Structure

x-ray diffraction · 6 distinct chains · 8% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGastric inhibitory polypeptide receptorprotein9224% helix, 25% strandP48546
BGastric inhibitory polypeptide receptorprotein9126% helix, 14% strandP48546
PGIPG013 Fab, antagonizing antibody to the gip receptor, heavy chainprotein2061% helix, 47% strand—
QGIPG013 Fab, antagonizing antibody to the gip receptor, light chainprotein2104% helix, 43% strand—
DGIPG013 Fab, antagonizing antibody to the gip receptor, light chainprotein2116% helix, 33% strand—
CGIPG013 Fab, antagonizing antibody to the gip receptor, heavy chainprotein2053% helix, 47% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.690.9617empty
22860.590.7841empty
34260.570.7440empty
41000.490.8121empty
52280.480.7439empty

Interfaces

9 interfaces between chains.

  • P–Q · 1617 Ų buried · 18 hydrogen bonds · protein-protein
  • D–C · 1571 Ų buried · 14 hydrogen bonds · protein-protein
  • A–P · 747 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 746 Ų buried · 7 hydrogen bonds · protein-protein
  • P–C · 665 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 4HJ0 · Crystal structure of the human GIPr ECD in complex with Gipg013 Fab at 3-A resolution · the same entry in another collection · chain B against B, TM-score 1.00
  • P48546 · AlphaFold monomer V2.0 prediction for gastric inhibitory polypeptide receptor (P48546) · a predicted model of the same protein · chain A against A, TM-score 0.96

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