MolNFT v1 · #153092 · protein

Crystal structure analysis of the glycotransferase of kitacinnamycin

6J32 · KCN28: “Crystal structure analysis of the glycotransferase of kitacinnamycin”. X-ray diffraction, 19 pockets (best druggability 0.82). MolNFT v1 #153092 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6J32
Type: protein
Length: 1,541 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: KCN28
Pockets: 19 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	KCN28	protein	385	43% helix, 15% strand	—
B	KCN28	protein	386	41% helix, 15% strand	—
C	KCN28	protein	385	43% helix, 15% strand	—

Pockets

19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	869	0.82	0.84	101	empty
2	959	0.80	0.82	101	empty
3	1086	0.80	0.81	99	empty
4	1165	0.78	0.80	101	empty
5	325	0.67	0.81	37	empty

Interfaces

4 interfaces between chains.

A–C · 1238 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 657 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 618 Å² buried · 3 hydrogen bonds · protein-protein
B–D · 609 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6J32 · Crystal Structure Analysis of the Glycotransferase of kitacinnamycin · 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 6J32 · PDBe 6J32

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