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MolNFT v1 · #54153 · protein

Structural basis of gene regulation by protein pii: the crystal complex of pii and pipx from synechococcus elongatus pcc 7942

2XG8 · Nitrogen regulatory protein P-II: “Structural basis of gene regulation by protein pii: the crystal complex of pii and pipx from synechococcus…”. X-ray diffraction, 9 pockets (best druggability 0.84). MolNFT v1 #54153 on GenesisL1…

PDB
2XG8
Type
protein
Length
578 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nitrogen regulatory protein P-II; Pipx
UniProt
P0A3F4, Q7X386
Pockets
9 · best druggability 0.84

Structure

x-ray diffraction · 5 distinct chains · 27% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANitrogen regulatory protein P-IIprotein10624% helix, 42% strandP0A3F4
BNitrogen regulatory protein P-IIprotein10823% helix, 39% strandP0A3F4
CNitrogen regulatory protein P-IIprotein11222% helix, 38% strandP0A3F4
D, EPipxprotein8737% helix, 34% strandQ7X386
FPipxprotein7831% helix, 32% strandQ7X386

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19250.840.8597empty
24610.720.8245empty
3510.680.9721empty
43190.640.8035empty
52840.620.8033empty

Interfaces

12 interfaces between chains.

  • A–B · 1149 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 1146 Ų buried · 24 hydrogen bonds · protein-protein
  • B–C · 1119 Ų buried · 22 hydrogen bonds · protein-protein
  • A–E · 538 Ų buried · 5 hydrogen bonds · protein-protein
  • C–F · 526 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 2XG8 · Structural basis of gene regulation by protein PII: The crystal complex of PII and PipX… · the same entry in another collection · chain F against F, TM-score 1.00
  • P0A3F4 · AlphaFold monomer V2.0 prediction for nitrogen regulatory protein P-II (P0A3F4) · a predicted model of the same protein · chain B against A, TM-score 0.92

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