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Crystal structure of a staphylococcal orthologue of CYP134A1 (cypx) in complex with cyclo-L-leucyl-L-leucine

Analyse Crystal structure of a staphylococcal orthologue of CYP134A1 (cypx) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OW9
Type: protein
Length: 393 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cypx
Ligands: 2IO, HEM, NO3
Pockets: 6 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cypx	protein	393	57% helix, 10% strand	—

Ligands and binding sites

2IO · (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione · ligand · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A
NO3 · Nitrate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 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	509	0.87	0.93	50	2IO, HEM
2	224	0.49	0.75	29	empty
3	88	0.41	0.78	22	empty
4	126	0.41	0.75	18	empty
5	91	0.40	0.77	28	empty

Compared structures

7OW9 · Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with… · 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
Elsewhere: RCSB PDB 7OW9 · PDBe 7OW9

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