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MolNFT v1 · #67318 · protein

1.85 ångström resolution crystal structure of transaldolase B (tala) from francisella tularensis.

3IGX: “1.85 ångström resolution crystal structure of transaldolase B (tala) from francisella tularensis.”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.86). MolNFT v1 #67318 on GenesisL1: 3D structure, binding sites…

PDB
3IGX
Type
protein
Length
642 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transaldolase
EC
2.2.1.2
UniProt
Q5NFX0
Ligands
PO4
Pockets
5 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransaldolase (EC 2.2.1.2)protein32256% helix, 12% strandQ5NFX0
BTransaldolase (EC 2.2.1.2)protein32058% helix, 12% strandQ5NFX0

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12510.860.9830empty
2580.700.9718empty
3780.630.9021empty
41710.510.7830PO4
51530.500.7833PO4

Interfaces

1 interface between chains.

  • A–B · 854 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

  • 3IGX · 1.85 Angstrom Resolution Crystal Structure of Transaldolase B (talA) from Francisella… · the same entry in another collection · chain A against A, TM-score 1.00

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