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MolNFT v1 · #38308 · protein

Crystal structure of the hypthetical protein from bacillus cereus (atcc 14579). northeast structural genomics target BCR11

2GTC · UPF0145 protein BC_1816: “Crystal structure of the hypthetical protein from bacillus cereus (atcc 14579). northeast structural genomics…”. X-ray diffraction, 6 pockets (best druggability 0.82). MolNFT v1 #38308 on GenesisL1: 3D…

PDB
2GTC
Type
protein
Length
515 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
UPF0145 protein BC_1816
UniProt
Q81EZ2
Pockets
6 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EUPF0145 protein BC_1816protein10328% helix, 38% strandQ81EZ2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110590.820.8481empty
21580.440.7532empty
3730.420.8019empty
4670.410.8016empty
5640.390.8018empty

Interfaces

5 interfaces between chains.

  • B–C · 1515 Ų buried · 27 hydrogen bonds · protein-protein
  • B–E · 1493 Ų buried · 24 hydrogen bonds · protein-protein
  • A–D · 1445 Ų buried · 22 hydrogen bonds · protein-protein
  • D–E · 1398 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 1374 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

  • 2GTC · Crystal structure of the hypthetical protein from Bacillus cereus (ATCC 14579). Northeast… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q81EZ2 · AlphaFold monomer V2.0 prediction for UPF0145 protein BC_1816 (Q81EZ2) · a predicted model of the same protein · chain A against A, TM-score 0.90

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