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Solution structure of the hoo-bm bound blmt, transposon TN5-encoding bleomycin-binding protein

Analyse Solution structure of the hoo-bm bound blmt, transposon TN5-encoding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1NIQ
Type
protein
Length
250 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bleomycin resistance protein
UniProt
P13081
Ligands
BLM, CU
Pockets
5 · best druggability 0.60

Structure

solution nmr · 1 distinct chain · 17% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, CBleomycin resistance proteinprotein12517% helix, 38% strandP13081

Ligands and binding sites

  • BLM · Bleomycin A2 · ligand · 2 copies · chains B, C
  • CU · Copper (II) ion · metal · 2 copies · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.600.9021empty
21890.530.7826empty
3610.330.7615empty
4670.310.7517empty
5590.300.7416empty

Interfaces

1 interface between chains.

  • B–C · 1536 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 covalent (covalent ligand).

Compared structures

  • 1NIQ · Solution Structure of the HOO-Bm bound BLMT, Transposon Tn5-encoding Bleomycin-binding… · the same entry in another collection · chain C against C, TM-score 1.00
  • P13081 · AlphaFold monomer V2.0 prediction for bleomycin resistance protein (P13081) · a predicted model of the same protein · chain C against A, TM-score 0.93

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