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MolNFT v1 · #168099 · protein

Crystal structure of Fab RSB1

6W5D · RSB1 Fab heavy chain: “Crystal structure of Fab RSB1”. X-ray diffraction, 6 pockets (best druggability 0.63). MolNFT v1 #168099 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6W5D
Type
protein
Length
861 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RSB1 Fab heavy chain; RSB1 Fab light chain
Pockets
6 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HRSB1 Fab heavy chainprotein2217% helix, 49% strand—
L, BRSB1 Fab light chainprotein2137% helix, 48% strand—
ARSB1 Fab heavy chainprotein2146% helix, 53% strand—

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16020.630.7459empty
25850.620.7479empty
33650.600.7753empty
44770.580.7352empty
51720.490.7736empty

Interfaces

5 interfaces between chains.

  • H–L · 1745 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1732 Ų buried · 18 hydrogen bonds · protein-protein
  • L–A · 225 Ų buried · 1 hydrogen bond · protein-protein
  • L–B · 113 Ų buried · 0 hydrogen bonds · protein-protein
  • H–B · 99 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 6W5D · Crystal Structure of Fab RSB1 · the same entry in another collection · chain H against H, TM-score 1.00

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