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MolNFT v1 · #36859 · protein

Crystal structure of putative tagatose 6-phosphate kinase

2FIQ · Putative tagatose 6-phosphate kinase 1: “Crystal structure of putative tagatose 6-phosphate kinase”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #36859 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2FIQ
Type
protein
Length
1,637 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative tagatose 6-phosphate kinase 1
EC
2.7.1.101
UniProt
P37191
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 53% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative tagatose 6-phosphate kinase 1 (EC 2.7.1.101)protein41054% helix, 13% strandP37191
BPutative tagatose 6-phosphate kinase 1 (EC 2.7.1.101)protein40853% helix, 13% strandP37191
CPutative tagatose 6-phosphate kinase 1 (EC 2.7.1.101)protein41053% helix, 12% strandP37191
DPutative tagatose 6-phosphate kinase 1 (EC 2.7.1.101)protein40954% helix, 13% strandP37191

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18890.750.7981empty
29520.750.7890empty
32700.750.8827empty
42330.750.8928empty
56580.720.7967empty

Interfaces

6 interfaces between chains.

  • A–B · 1468 Ų buried · 26 hydrogen bonds · protein-protein
  • C–D · 1438 Ų buried · 28 hydrogen bonds · protein-protein
  • B–C · 348 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 343 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 259 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 40 modified (engineered).

Compared structures

  • 2FIQ · Crystal structure of putative tagatose 6-phosphate kinase · the same entry in another collection · chain A against A, TM-score 1.00

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