MolNFT v1 · #101714 · protein

Crystal structure of beta-ketothiolase bktb B from ralstonia eutropha H16

4NZS: “Crystal structure of beta-ketothiolase bktb B from ralstonia eutropha H16”. X-ray diffraction, 9 pockets (best druggability 0.59). MolNFT v1 #101714 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NZS
Type: protein
Length: 786 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-ketothiolase bktb
EC: 2.3.1.16, 2.3.1.9
UniProt: Q0KBP1
Pockets: 9 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-ketothiolase bktb (EC 2.3.1.16, 2.3.1.9)	protein	393	36% helix, 22% strand	Q0KBP1

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	146	0.59	0.83	35	empty
2	110	0.58	0.85	34	empty
3	116	0.56	0.84	25	empty
4	121	0.56	0.83	37	empty
5	182	0.49	0.76	26	empty

Interfaces

1 interface between chains.

A–B · 2825 Å² buried · 65 hydrogen bonds · protein-protein

Compared structures

4NZS · Crystal structure of beta-ketothiolase BktB B from Ralstonia eutropha H16 · the same entry in another collection · chain A against A, TM-score 1.00
Q0KBP1 · AlphaFold monomer V2.0 prediction for beta-ketothiolase bktb (Q0KBP1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q0KBP1
Elsewhere: RCSB PDB 4NZS · PDBe 4NZS · UniProt Q0KBP1

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