MolNFT v1 · #12375 · protein

Crystal structure of the macrocycle-forming thioesterase domain of erythromycin polyketide synthase (debs te)

1KEZ · Erythronolide synthase: “Crystal structure of the macrocycle-forming thioesterase domain of erythromycin polyketide synthase (debs te)”. X-ray diffraction, 9 pockets (best druggability 0.89). MolNFT v1 #12375 on GenesisL1: 3D…

PDB: 1KEZ
Type: protein
Length: 801 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Erythronolide synthase
EC: 2.3.1.94
UniProt: Q03133
Pockets: 9 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Erythronolide synthase (EC 2.3.1.94)	protein	267	34% helix, 10% strand	Q03133

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	989	0.89	0.91	132	empty
2	491	0.78	0.85	48	empty
3	485	0.76	0.84	56	empty
4	68	0.72	0.96	22	empty
5	96	0.62	0.88	23	empty

Interfaces

2 interfaces between chains.

A–B · 929 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 69 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1KEZ · Crystal Structure of the Macrocycle-forming Thioesterase Domain of Erythromycin… · the same entry in another collection · chain A against A, 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 Q03133
Elsewhere: RCSB PDB 1KEZ · PDBe 1KEZ · UniProt Q03133

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