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MolNFT v1 · #187033 · protein

Anti-HIV neutralizing antibody AB1573 Fab isolated from sequentially immunized macaques

7RYV · AB1573 Fab heavy chain: “Anti-HIV neutralizing antibody AB1573 Fab isolated from sequentially immunized macaques”. X-ray diffraction, 20 pockets (best druggability 0.62). MolNFT v1 #187033 on GenesisL1: 3D structure, binding sites…

PDB
7RYV
Type
protein
Length
1,725 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AB1573 Fab heavy chain; AB1573 Fab light chain
Pockets
20 · best druggability 0.62

Structure

x-ray diffraction · 6 distinct chains · 6% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
EAB1573 Fab heavy chainprotein2188% helix, 51% strand—
F, QAB1573 Fab light chainprotein2136% helix, 51% strand—
HAB1573 Fab heavy chainprotein2206% helix, 50% strand—
I, PAB1573 Fab heavy chainprotein2196% helix, 52% strand—
JAB1573 Fab light chainprotein2117% helix, 52% strand—
LAB1573 Fab light chainprotein2126% helix, 51% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15170.620.7566empty
25670.610.7450empty
3750.430.8117empty
41460.410.7430empty
5710.400.8016empty

Interfaces

12 interfaces between chains.

  • E–F · 1718 Ų buried · 13 hydrogen bonds · protein-protein
  • P–Q · 1659 Ų buried · 15 hydrogen bonds · protein-protein
  • H–L · 1653 Ų buried · 12 hydrogen bonds · protein-protein
  • I–J · 1615 Ų buried · 15 hydrogen bonds · protein-protein
  • E–H · 315 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

  • 7RYV · Anti-HIV neutralizing antibody Ab1573 Fab isolated from sequentially immunized macaques · the same entry in another collection · chain E against E, TM-score 1.00

Analyse

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