MolNFT v1 · #182243 · protein

Structure of CALU17 from the calicheamicin biosynthesis pathway of micromonospora echinospora

7ML6: “Structure of CALU17 from the calicheamicin biosynthesis pathway of micromonospora echinospora”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #182243 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7ML6
Type: protein
Length: 292 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CALU17
UniProt: Q8KND1
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CALU17	protein	292	27% helix, 20% strand	Q8KND1

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

2 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	257	0.56	0.76	34	GOL
2	67	0.49	0.84	24	empty

Compared structures

7ML6 · Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora… · 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 Q8KND1
Elsewhere: RCSB PDB 7ML6 · PDBe 7ML6 · UniProt Q8KND1

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