MolNFT v1 · #117228 · protein

Crystal structure of a monomeric dehydratase domain from a trans at polyketide synthase split module

5E1V · Polyketide synthase pksl: “Crystal structure of a monomeric dehydratase domain from a trans at polyketide synthase split module”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #117228 on GenesisL1: 3D structure…

PDB: 5E1V
Type: protein
Length: 547 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polyketide synthase pksl
UniProt: Q05470
Pockets: 6 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Polyketide synthase pksl	protein	274	25% helix, 45% strand	Q05470
A	Polyketide synthase pksl	protein	273	25% helix, 45% strand	Q05470

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	232	0.75	0.89	46	empty
2	221	0.74	0.89	48	empty
3	376	0.60	0.77	33	empty
4	120	0.42	0.76	16	empty
5	96	0.39	0.76	15	empty

Interfaces

1 interface between chains.

B–A · 126 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

5E1V · Crystal structure of a monomeric dehydratase domain from a trans AT polyketide synthase… · the same entry in another collection · chain B against B, 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 Q05470
Elsewhere: RCSB PDB 5E1V · PDBe 5E1V · UniProt Q05470

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