MolNFT v1 · #121387 · protein

Crystal structure of the trans-at pks dehydratase domain of C0ZGQ4 from brevibacillus brevis

5HU7 · Putative polyketide synthase: “Crystal structure of the trans-at pks dehydratase domain of C0ZGQ4 from brevibacillus brevis”. X-ray diffraction, 8 pockets (best druggability 0.68). MolNFT v1 #121387 on GenesisL1: 3D structure…

PDB: 5HU7
Type: protein
Length: 517 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative polyketide synthase
EC: 4.2.1.59
UniProt: C0ZGQ4
Pockets: 8 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 17% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative polyketide synthase (EC 4.2.1.59)	protein	261	19% helix, 43% strand	C0ZGQ4
B	Putative polyketide synthase (EC 4.2.1.59)	protein	256	14% helix, 42% strand	C0ZGQ4

Pockets

8 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	234	0.68	0.84	48	empty
2	223	0.64	0.82	31	empty
3	108	0.55	0.83	18	empty
4	236	0.54	0.77	32	empty
5	92	0.46	0.80	18	empty

Interfaces

1 interface between chains.

A–B · 545 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5HU7 · Crystal structure of the trans-AT PKS dehydratase domain of C0ZGQ4 from Brevibacillus… · 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 C0ZGQ4
Elsewhere: RCSB PDB 5HU7 · PDBe 5HU7 · UniProt C0ZGQ4

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