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MolNFT v1 · #138497 · protein

VH1-69 germline antibody with cdr H3 sequence of CR9114

5WL2 · Heavy chain of VH1-69 germline antibody with cdr H3…: “VH1-69 germline antibody with cdr H3 sequence of CR9114”. X-ray diffraction, 13 pockets (best druggability 0.58). MolNFT v1 #138497 on GenesisL1: 3D structure, binding sites and…

PDB
5WL2
Type
protein
Length
862 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heavy chain of VH1-69 germline antibody with cdr H3 sequence of CR9114; Germline-reverted…
Pockets
13 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HHeavy chain of VH1-69 germline antibody with cdr H3 sequence of CR9114protein21910% helix, 52% strand—
L, BGermline-reverted light chain of CR9114protein2118% helix, 51% strand—
AHeavy chain of VH1-69 germline antibody with cdr H3 sequence of CR9114protein22110% helix, 51% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.580.9119empty
22630.480.7336empty
31360.470.7826empty
41070.400.7627empty
5740.380.7714empty

Interfaces

3 interfaces between chains.

  • H–L · 1678 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1616 Ų buried · 15 hydrogen bonds · protein-protein
  • L–B · 600 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 5WL2 · VH1-69 germline antibody with CDR H3 sequence of CR9114 · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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