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MolNFT v1 · #14193 · protein

Crystal structure of aquifex aeolicus N-utilization substance G (nusg), space group P2(1)

1M1G · Transcription antitermination protein nusg: “Crystal structure of aquifex aeolicus N-utilization substance G (nusg), space group P2(1)”. X-ray diffraction, 6 pockets (best druggability 0.40). MolNFT v1 #14193 on GenesisL1: 3D…

PDB
1M1G
Type
protein
Length
965 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription antitermination protein nusg
UniProt
O67757
Pockets
6 · best druggability 0.40

Structure

x-ray diffraction · 4 distinct chains · 17% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription antitermination protein nusgprotein24017% helix, 44% strandO67757
BTranscription antitermination protein nusgprotein24216% helix, 40% strandO67757
CTranscription antitermination protein nusgprotein24418% helix, 42% strandO67757
DTranscription antitermination protein nusgprotein23918% helix, 41% strandO67757

Pockets

6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.400.7422empty
21030.390.7525empty
3780.330.7519empty
4570.330.7610empty
5590.300.7413empty

Interfaces

4 interfaces between chains.

  • B–C · 327 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 66 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 65 Ų buried · 0 hydrogen bonds · protein-protein
  • C–D · 49 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1M1G · Crystal Structure of Aquifex aeolicus N-utilization substance G (NusG), Space Group P2(1) · the same entry in another collection · chain D against D, TM-score 1.00
  • O67757 · AlphaFold monomer V2.0 prediction for transcription TERMINATION/ANTITERMINATION protein… · a predicted model of the same protein · chain D against A, TM-score 0.79

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