MolNFT v1 · #114425 · protein

Condensing di-domain (ks-at) of a mycocerosic acid synthase-like (mas- like) pks

5BP1: “Condensing di-domain (ks-at) of a mycocerosic acid synthase-like (mas- like) pks”. X-ray diffraction, 7 pockets (best druggability 0.66). MolNFT v1 #114425 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5BP1
Type: protein
Length: 817 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mycocerosic acid synthase
EC: 2.3.1.111
UniProt: A0R1E8
Pockets: 7 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mycocerosic acid synthase (EC 2.3.1.111)	protein	817	38% helix, 18% strand	A0R1E8

Pockets

7 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	584	0.66	0.76	63	empty
2	317	0.64	0.80	34	empty
3	193	0.60	0.82	28	empty
4	155	0.44	0.75	28	empty
5	132	0.41	0.75	21	empty

Compared structures

5BP1 · Condensing di-domain (KS-AT) of a mycocerosic acid synthase-like (MAS-like) PKS · the same entry in another collection · chain A against A, TM-score 1.00
A0R1E8 · AlphaFold monomer V2.0 prediction for mycocerosic acid synthase-like polyketide synthase… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 A0R1E8
Elsewhere: RCSB PDB 5BP1 · PDBe 5BP1 · UniProt A0R1E8

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