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Crystal structure of the BLOOM'S syndrome helicase blm in complex with nanobody

Analyse Crystal structure of the BLOOM'S syndrome helicase blm in complex with nanobody in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CDG
Type
protein
Length
1,485 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bloom syndrome protein; Nanobody
EC
3.6.4.12
UniProt
P54132
Ligands
ADP, ZN
Pockets
15 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABloom syndrome protein (EC 3.6.4.12)protein62546% helix, 13% strandP54132
BBloom syndrome protein (EC 3.6.4.12)protein61647% helix, 14% strandP54132
C, DNanobodyprotein1225% helix, 52% strand—

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16900.840.8873ADP
28060.830.8584ADP
36240.670.7656empty
46740.630.7468empty
55740.600.7354empty

Interfaces

3 interfaces between chains.

  • B–D · 903 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 890 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 587 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4CDG · Crystal structure of the Bloom's syndrome helicase BLM in complex with Nanobody · the same entry in another collection · chain A against A, TM-score 1.00
  • P54132 · AlphaFold monomer V2.0 prediction for bloom syndrome protein (P54132) · a predicted model of the same protein · chain A against A, TM-score 0.78

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