MolNFT v1 · #107144 · protein

Crystal structure of putative polyketide cyclase (protein SMA1630) from sinorhizobium meliloti at 2.3 a resolution

4U13 · Putative polyketide cyclase SMA1630: “Crystal structure of putative polyketide cyclase (protein SMA1630) from sinorhizobium meliloti at 2.3 a…”. X-ray diffraction, 3 pockets (best druggability 0.73). MolNFT v1 #107144 on GenesisL1…

PDB: 4U13
Type: protein
Length: 218 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative polyketide cyclase SMA1630
UniProt: Q92YJ1
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative polyketide cyclase SMA1630	protein	109	33% helix, 45% strand	Q92YJ1

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	451	0.73	0.83	46	empty
2	91	0.47	0.80	17	empty
3	93	0.47	0.80	16	empty

Interfaces

1 interface between chains.

A–B · 385 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified, 1 disulfide (engineered, disulfide).

Compared structures

4U13 · Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium… · 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 Q92YJ1
Elsewhere: RCSB PDB 4U13 · PDBe 4U13 · UniProt Q92YJ1

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