MolNFT v1 · #93783 · protein

Structure of a eukaryotic thiaminase-I

4HCW: “Structure of a eukaryotic thiaminase-I”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #93783 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HCW
Type: protein
Length: 2,112 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiaminase-I
EC: 2.5.1.2
UniProt: D2V4Z5
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Thiaminase-I (EC 2.5.1.2)	protein	352	43% helix, 22% strand	D2V4Z5

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	495	0.83	0.90	65	empty
2	278	0.81	0.92	35	empty
3	373	0.80	0.90	50	empty
4	394	0.80	0.89	57	empty
5	289	0.80	0.92	39	empty

Interfaces

5 interfaces between chains.

D–E · 1015 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 996 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 958 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 939 Å² buried · 7 hydrogen bonds · protein-protein
E–F · 923 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4HCW · Structure of a eukaryotic thiaminase-I · the same entry in another collection · chain F against F, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt D2V4Z5
Elsewhere: RCSB PDB 4HCW · PDBe 4HCW · UniProt D2V4Z5

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